Jerry Bernholc - Publications

Affiliations: 
Physics North Carolina State University, Raleigh, NC 
Area:
Condensed Matter Physics, Analytical Chemistry, Molecular Chemistry
Website:
https://www.physics.ncsu.edu/people/faculty_bernholc.php

201 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Dong R, Ranjan V, Buongiorno Nardelli M, Bernholc J. First-principles simulations of PVDF copolymers with high dielectric energy density: PVDF-HFP and PVDF-BTFE Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/PhysRevB.94.014210  0.96
2016 Li Y, Hodak M, Lu W, Bernholc J. Mechanisms of NH3 and NO2 detection in carbon-nanotube-based sensors: An ab initio investigation Carbon. 101: 177-183. DOI: 10.1016/j.carbon.2016.01.092  0.96
2015 Li Y, Hodak M, Bernholc J. Enzymatic mechanism of copper-containing nitrite reductase. Biochemistry. 54: 1233-42. PMID 25594136 DOI: 10.1021/bi5007767  0.96
2015 Tan B, Hodak M, Lu W, Bernholc J. Charge transport in DNA nanowires connected to carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.075429  0.96
2015 Dong R, Ranjan V, Buongiorno Nardelli M, Bernholc J. Atomistic simulations of aromatic polyurea and polyamide for capacitive energy storage Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.024203  0.96
2015 Thakur Y, Dong R, Lin M, Wu S, Cheng Z, Hou Y, Bernholc J, Zhang QM. Optimizing nanostructure to achieve high dielectric response with low loss in strongly dipolar polymers Nano Energy. 16: 227-234. DOI: 10.1016/j.nanoen.2015.06.021  0.96
2013 Li Q, Owens JR, Han C, Sumpter BG, Lu W, Bernholc J, Meunier V, Maksymovych P, Fuentes-Cabrera M, Pan M. Self-organized and cu-coordinated surface linear polymerization. Scientific Reports. 3: 2102. PMID 23811605 DOI: 10.1038/srep02102  0.96
2012 Li Q, Han C, Fuentes-Cabrera M, Terrones H, Sumpter BG, Lu W, Bernholc J, Yi J, Gai Z, Baddorf AP, Maksymovych P, Pan M. Electronic control over attachment and self-assembly of alkyne groups on gold. Acs Nano. 6: 9267-75. PMID 23013321 DOI: 10.1021/nn303734r  0.96
2012 Ranjan V, Nardelli MB, Bernholc J. Electric field induced phase transitions in polymers: a novel mechanism for high speed energy storage. Physical Review Letters. 108: 087802. PMID 22463575 DOI: 10.1103/PhysRevLett.108.087802  0.96
2012 Jiang J, Turnbull J, Lu W, Boguslawski P, Bernholc J. Theory of nitrogen doping of carbon nanoribbons: Edge effects Journal of Chemical Physics. 136. PMID 22239795 DOI: 10.1063/1.3673441  0.96
2012 Li Q, Han C, Horton SR, Fuentes-Cabrera M, Sumpter BG, Lu W, Bernholc J, Maksymovych P, Pan M. Supramolecular self-assembly of π-conjugated hydrocarbons via 2D cooperative CH/π interaction Acs Nano. 6: 566-572. PMID 22168531 DOI: 10.1021/nn203952e  0.96
2011 Rose F, Hodak M, Bernholc J. Mechanism of copper(II)-induced misfolding of Parkinson's disease protein. Scientific Reports. 1: 11. PMID 22355530 DOI: 10.1038/srep00011  0.96
2011 Bernholc J, Ranjan V, Zheng XH, Jiang J, Lu W, Abtew TA, Boguslawski P, Nardelli MB, Meunier V. Properties of high-performance capacitor materials and nanoscale electronic devices Proceedings - 2010 Dod High Performance Computing Modernization Program Users Group Conference, Hpcmp Ugc 2010. 195-200. DOI: 10.1109/HPCMP-UGC.2010.76  0.96
2010 Saha KK, Nikolić BK, Meunier V, Lu W, Bernholc J. Quantum-interference-controlled three-terminal molecular transistors based on a single ring-shaped molecule connected to graphene nanoribbon electrodes. Physical Review Letters. 105: 236803. PMID 21231493 DOI: 10.1103/PhysRevLett.105.236803  0.96
2010 Zheng X, Lu W, Abtew TA, Meunier V, Bernholc J. Negative differential resistance in C60-based electronic devices. Acs Nano. 4: 7205-10. PMID 21082821 DOI: 10.1021/nn101902r  0.96
2010 Ranjan V, Yu L, Nakhmanson S, Bernholc J, Nardelli MB. Polarization effects and phase equilibria in high-energy-density polyvinylidene-fluoride-based polymers. Acta Crystallographica. Section a, Foundations of Crystallography. 66: 553-7. PMID 20720320 DOI: 10.1107/S0108767310026358  0.96
2010 Hodak M, Bernholc J. Insights into prion protein function from atomistic simulations. Prion. 4: 13-9. PMID 20118658  0.96
2010 Saha KK, Lu W, Bernholc J, Meunier V. Electron transport in multiterminal molecular devices: A density functional theory study Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.125420  0.96
2010 Kim G, Bernholc J, Kwon YK. Band gap control of small bundles of carbon nanotubes using applied electric fields: A density functional theory study Applied Physics Letters. 97. DOI: 10.1063/1.3478237  0.96
2009 Saha KK, Lu W, Bernholc J, Meunier V. First-principles methodology for quantum transport in multiterminal junctions. The Journal of Chemical Physics. 131: 164105. PMID 19894925 DOI: 10.1063/1.3247880  0.96
2009 Hodak M, Chisnell R, Lu W, Bernholc J. Functional implications of multistage copper binding to the prion protein. Proceedings of the National Academy of Sciences of the United States of America. 106: 11576-81. PMID 19561303 DOI: 10.1073/pnas.0903807106  0.96
2009 Bernholc J, Yu L, Ranjan V, Nardelli MB, Lu W, Saha K, Meunier V. Electronic properties of high-performance capacitor materials and nanoscale multiterminal devices Department of Defense Proceedings of the High Performance Computing Modernization Program - Users Group Conference, Hpcmp-Ugc 2009. 313-320. DOI: 10.1109/HPCMP-UGC.2009.51  0.96
2008 Ribeiro FJ, Lu W, Bernholc J. Doping-dependent negative differential resistance in hybrid organic/inorganic Si-porphyrin-Si junctions. Acs Nano. 2: 1517-22. PMID 19206354 DOI: 10.1021/nn800252b  0.96
2008 Kim G, Wang S, Lu W, Buongiorno Nardelli M, Bernholc J. Effects of end group functionalization and level alignment on electron transport in molecular devices. The Journal of Chemical Physics. 128: 024708. PMID 18205467 DOI: 10.1063/1.2822180  0.96
2008 Hodak M, Lu W, Bernholc J. Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems. The Journal of Chemical Physics. 128: 014101. PMID 18190179 DOI: 10.1063/1.2814165  0.96
2008 Bernholc J, Jiang J, Ranjan V, Yu L, Nardelli MB, Lu W. Multiscale simulations of high performance capacitors and nanoelectronic devices 2008 Proceedings of the Department of Defense High Performance Computing Modernization Program: Users Group Conference - Solving the Hard Problems. 221-228. DOI: 10.1109/DoD.HPCMP.UGC.2008.78  0.96
2008 Jiang J, Lu W, Bernholc J. Edge states and optical transition energies in carbon nanoribbons Physical Review Letters. 101. DOI: 10.1103/PhysRevLett.101.246803  0.96
2008 Yu L, Ranjan V, Lu W, Bernholc J, Nardelli MB. Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.245102  0.96
2008 Bernholc J, Hodak M, Lu W. Recent developments and applications of the real-space multigrid method Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/29/294205  0.96
2008 Boguslawski P, Bernholc J. Theoretical approach to polarization effects in semiconductors Polarization Effects in Semiconductors: From Ab Initiotheory to Device Applications. 1-25. DOI: 10.1007/978-0-387-68319-5_1  0.96
2007 Ranjan V, Yu L, Nardelli MB, Bernholc J. Phase equilibria in high energy density PVDF-based polymers. Physical Review Letters. 99: 047801. PMID 17678406 DOI: 10.1103/PhysRevLett.99.047801  0.96
2007 Bernholc J, Ranjan V, Ribeiro F, Lu W, Yu L, Buongiorno Nardelli M. Multiscale simulations of high performance capacitors and nanoelectronic devices Department of Defense - Proceedings of the Hpcmp Users Group Conference 2007; High Performance Computing Modernization Program: a Bridge to Future Defense, Dod Hpcmp Ugc. 194-199. DOI: 10.1109/HPCMP-UGC.2007.54  0.96
2007 Hodak M, Wang S, Lu W, Bernholc J. Implementation of ultrasoft pseudopotentials in large-scale grid-based electronic structure calculations Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.085108  0.96
2007 Sabir AK, Lu W, Roland C, Bernholc J. Ab initio simulations of H2 in Li-doped carbon nanotube systems Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/8/086226  0.96
2007 Bernholc J, Lu W, Nakhmanson SM, Hahn PH, Meunier V, Nardelli MB, Schmidt WG. Atomic scale design of nanostructures Molecular Physics. 105: 147-156. DOI: 10.1080/00268970701189186  0.96
2006 Bernholc J. Atomic scale design of nanostructures Proceedings of the 2006 Acm/Ieee Conference On Supercomputing, Sc'06. DOI: 10.1145/1188455.1188522  0.96
2006 Bernholc J, Buongiorno Nardelli M, Lu W, Ranjan V, Wang S, Yu L. Multiscale simulations of quantum structures Proceedings - Hpcmp Users Group Conference, Ugc 2006. 182-188. DOI: 10.1109/HPCMP-UGC.2006.49  0.96
2006 Bogusławski P, Szwacki NG, Bernholc J. Interfacial segregation and electrodiffusion of dopants in AlN/GaN superlattices Physical Review Letters. 96. DOI: 10.1103/PhysRevLett.96.185501  0.96
2006 Wang S, Lu W, Zhao Q, Bernholc J. Resonant coupling and negative differential resistance in metal/ferrocenyl alkanethiolate/STM structures Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.195430  0.96
2006 Bogusławski P, Bernholc J. Properties of wurtzite w-MnN and of w-MnN inclusions in (Ga,Mn)N Applied Physics Letters. 88. DOI: 10.1063/1.2180874  0.96
2006 Meunier V, Lu W, Sumpter BG, Bernholc J. Density functional theory studies of quantum transport in molecular systems International Journal of Quantum Chemistry. 106: 3334-3342. DOI: 10.1002/qua.21197  0.96
2005 Lu W, Meunier V, Bernholc J. Nonequilibrium quantum transport properties of organic molecules on silicon. Physical Review Letters. 95: 206805. PMID 16384084 DOI: 10.1103/PhysRevLett.95.206805  0.96
2005 Zhao Q, Buongiorno Nardelli M, Lu W, Bernholc J. Carbon nanotube-metal cluster composites: a new road to chemical sensors? Nano Letters. 5: 847-51. PMID 15884882 DOI: 10.1021/nl050167w  0.96
2005 Bernholc J, Lu W, Nardelli MB, Nakhmanson SM, Meunier V. Multiscale simulations of quantum structures Department of Defense High Performance Computing Modernization Program: Proceedings of the Hpcmp Users Group Conference 2005. 2005: 18-24. DOI: 10.1109/DODUGC.2005.43  0.96
2005 Hahn PH, Schmidt WG, Seino K, Preuss M, Bechstedt F, Bernholc J. Optical absorption of water: Coulomb effects versus hydrogen bonding Physical Review Letters. 94. DOI: 10.1103/PhysRevLett.94.037404  0.96
2005 Nakhmanson SM, Nardelli MB, Bernholc J. Collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.115210  0.96
2005 Bogusławski P, Bernholc J. Fermi-level effects on the electronic structure and magnetic couplings in (Ga,Mn)N Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.115208  0.96
2005 Meunier V, Lu W, Bernholc J, Sumpter BG. Electron transport in molecular systems Journal of Physics: Conference Series. 16: 283-286. DOI: 10.1088/1742-6596/16/1/039  0.96
2005 Bogusławski P, Bernholc J. Theory of electronic structure and magnetic interactions in (Ga,Mn)N and (Ga,Mn)As Aip Conference Proceedings. 772: 1331-1332. DOI: 10.1063/1.1994603  0.96
2005 Yi JY, Bernholc J. Hydrogenation effect on the structural transition of C60 Chemical Physics Letters. 403: 359-362. DOI: 10.1016/j.cplett.2005.01.035  0.96
2004 Nakhmanson SM, Nardelli MB, Bernholc J. Ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers. Physical Review Letters. 92: 115504. PMID 15089148 DOI: 10.1103/PhysRevLett.92.115504  0.96
2004 Bernholc J, Nakhmanson SM, Nardelli MB, Meunier V. Understanding and enhancing polarization in complex materials Computing in Science and Engineering. 6: 12-21. DOI: 10.1109/MCSE.2004.78  0.96
2004 Schmidt WG, Seino K, Hahn PH, Bechstedt F, Lu W, Wang S, Bernholc J. Calculation of surface optical properties: From qualitative understanding to quantitative predictions Thin Solid Films. 455: 764-771. DOI: 10.1016/j.tsf.2003.11.263  0.96
2004 Fleischer K, Chandola S, Esser N, Richter W, McGilp JF, Schmidt WG, Wang S, Lu W, Bernholc J. Atomic indium nanowires on Si(1 1 1): The (4 × 1)-(8 × 2) phase transition studied with reflectance anisotropy spectroscopy Applied Surface Science. 234: 302-306. DOI: 10.1016/j.apsusc.2004.05.114  0.96
2004 Bernholc J, Nardelli MB, Lu W, Nakhmanson S, Meunier V. Large-scale quantum-mechanical simulations of nanoscale devices and new materials Proceedings - Department of Defense High Performance Computing Modernization Program Users Group Conference, Ugc 2004. 34-38.  0.96
2003 Bernholc J, Nardelli MB, Lu W, Meunier V, Schmidt WG, Wang S, Zhao Q. Large-scale simulations of advanced materials and nanoscale devices Proceedings - 2003 User Group Conference. 2-10. DOI: 10.1109/DODUGC.2003.1253364  0.96
2003 Andriotis AN, Srivastava D, Menon M, Meunier V, Nardelli MB, Bernholc J, Zacharia T, Charlier JC. Comment on "Intrinsic electron transport properties of carbon nanotube Y- junctions" [Appl. Phys. Lett. 81, 5234 (2002)] Applied Physics Letters. 83: 1674-1677. DOI: 10.1063/1.1604948  0.96
2003 Kang HS, Bernholc J. First-principle study of molecular springs under shear deformation Journal of Physical Chemistry A. 107: 1377-1383. DOI: 10.1021/jp0267353  0.96
2003 Pristovsek M, Tsukamoto S, Ohtake A, Koguchi N, Orr BG, Schmidt WG, Bernholc J. Gallium-rich reconstructions on GaAs(001) Physica Status Solidi (B) Basic Research. 240: 91-98. DOI: 10.1002/pssb.200301885  0.96
2003 Lu W, Schmidt WG, Bernholc J. Cycloaddition reaction versus dimer cleavage at the Si(001):C 5H8 interface Physical Review B - Condensed Matter and Materials Physics. 68: 1153271-1153276.  0.96
2003 Wang S, Lu W, Schmidt WG, Bernholc J. Nanowire-induced optical anisotropy of the Si(111)-In surface Physical Review B - Condensed Matter and Materials Physics. 68: 353291-353295.  0.96
2003 Nakhmanson SM, Calzolari A, Meunier V, Bernholc J, Nardelli MB. Spontaneous polarization and piezoelectricity in boron nitride nanotubes Physical Review B - Condensed Matter and Materials Physics. 67: 2354061-2354065.  0.96
2002 Meunier V, Kephart J, Roland C, Bernholc J. Ab initio investigations of lithium diffusion in carbon nanotube systems. Physical Review Letters. 88: 075506. PMID 11863911 DOI: 10.1103/PhysRevLett.88.075506  0.96
2002 Bernholc J, Brenner D, Buongiorno Nardelli M, Meunier V, Roland C. Mechanical and electrical properties of nanotubes Annual Review of Materials Science. 32: 347-375. DOI: 10.1146/annurev.matsci.32.112601.134925  0.96
2002 Meunier V, Nardelli MB, Bernholc J, Zacharia T, Charlier JC. Intrinsic electron transport properties of carbon nanotube Y-junctions Applied Physics Letters. 81: 5234-5236. DOI: 10.1063/1.1533842  0.96
2002 Meunier V, Roland C, Bernholc J, Nardelli MB. Electronic and field emission properties of boron nitride/carbon nanotube superlattices Applied Physics Letters. 81: 46-48. DOI: 10.1063/1.1491013  0.96
2002 Schmidt WG, Bechstedt F, Bernholc J. GaAs(0 0 1) surface reconstructions: Geometries, chemical bonding and optical properties Applied Surface Science. 190: 264-268. DOI: 10.1016/S0169-4332(01)00862-5  0.96
2002 Seino K, Schmidt WG, Bechstedt F, Bernholc J. Structure and energetics of Ga-rich GaAs(0 0 1) surfaces Surface Science. 507: 406-410. DOI: 10.1016/S0039-6028(02)01278-5  0.96
2002 Boguslawski P, Bernholc J. Surface segregation of Ge at SiGe(001) by concerted exchange pathways Physical Review Letters. 88: 1661011-1661014.  0.96
2002 Zhao Q, Buongiorno Nardelli M, Bernholc J. Ultimate strength of carbon nanotubes: A theoretical study Physical Review B - Condensed Matter and Materials Physics. 65: 1441051-1441056.  0.96
2002 Meunier V, Kephart J, Roland C, Bernholc J. Li uptake in carbon nanotube systems: A first principles investigation Materials Research Society Symposium - Proceedings. 706: 263-268.  0.96
2002 Schmidt WG, Bechstedt F, Lu W, Bernholc J. Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001) Physical Review B - Condensed Matter and Materials Physics. 66: 853341-853346.  0.96
2002 Meunier V, Nardelli MB, Shelton W, Roland C, Bernholc J, Zacharia T. Field emission properties of BN/C and BN@C hybrid nanotubes Materials Research Society Symposium - Proceedings. 739: 181-186.  0.96
2001 Nardelli MB, Fattebert JL, Bernholc J. O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube-metal contacts Physical Review B - Condensed Matter and Materials Physics. 64: 2454231-2454235.  0.96
2001 Schmidt WG, Bechstedt F, Bernholc J. Terrace and step contributions to the optical anisotropy of Si(001) surfaces Physical Review B - Condensed Matter and Materials Physics. 63: 453221-453227.  0.96
2001 Meunier V, Buongiorno Nardelli M, Roland C, Bernholc J. Structural and electronic properties of carbon nanotube tapers Physical Review B - Condensed Matter and Materials Physics. 64: 1954191-1954197.  0.96
2001 Schmidt WG, Bechstedt F, Fleischer K, Cobet C, Esser N, Richter W, Bernholc J, Onida G. GaAs(001): Surface structure and optical properties Physica Status Solidi (a) Applied Research. 188: 1401-1409.  0.96
2000 Lu W, Schmidt WG, Briggs EL, Bernholc J. Optical anisotropy of the SiC((001))- (3x2) surface: evidence for the two-adlayer asymmetric-dimer model Physical Review Letters. 85: 4381-4. PMID 11060643 DOI: 10.1103/PhysRevLett.85.4381  0.96
2000 Frisch AM, Vogt P, Visbeck S, Hannappel T, Willig F, Braun W, Richter W, Bernholc J, Schmidt WG, Esser N. Angle Resolved Photoemission Spectroscopy of the InP(001) surface Applied Surface Science. 166: 224-230. DOI: 10.1016/S0169-4332(00)00431-1  0.96
2000 Schmidt WG, Bernholc J, Bechstedt F. (001) Surfaces of GaP and InP: Structural motifs, electronic states and optical signatures Applied Surface Science. 166: 179-184. DOI: 10.1016/S0169-4332(00)00406-2  0.96
2000 Buongiorno Nardelli M, Fattebert JL, Orlikowski D, Roland C, Zhao Q, Bernholc J. Mechanical properties, defects and electronic behavior of carbon nanotubes Carbon. 38: 1703-1711. DOI: 10.1016/S0008-6223(99)00291-2  0.96
2000 Fattebert JL, Bernholc J. Towards grid-based O(N) density-functional theory methods: Optimized nonorthogonal orbitals and multigrid acceleration Physical Review B - Condensed Matter and Materials Physics. 62: 1713-1722.  0.96
2000 Schmidt WG, Bernholc J. Step-induced optical anisotropy of Si(111):H surfaces Physical Review B - Condensed Matter and Materials Physics. 61: 7604-7608.  0.96
2000 Bungaro C, Rapcewicz K, Bernholc J. Ab initio phonon dispersions of wurtzite AlN, GaN, and InN Physical Review B - Condensed Matter and Materials Physics. 61: 6720-6725.  0.96
2000 Orlikowski D, Nardelli MB, Bernholc J, Roland C. Theoretical STM signatures and transport properties of native defects in carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 61: 14194-14203.  0.96
2000 Bogusławski P, Rapcewicz K, Bernholc JJ. Surface segregation and interface stability of AIN/GaN, GaN/InN, and AIN/InN {0001} epitaxial systems Physical Review B - Condensed Matter and Materials Physics. 61: 10820-10826.  0.96
2000 Schmidt WG, Bechstedt F, Bernholc J. Understanding reflectance anisotropy: Surface-state signatures and bulk-related features Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures. 18: 2215-2223.  0.96
2000 Orlikowski D, Buongiorno Nardelli M, Bernholc J, Roland C. Formation of nanotube-based quantum dots with strain and addimers Materials Research Society Symposium - Proceedings. 593: 149-154.  0.96
2000 Roland C, Bernholc J, Brabec C, Buongiorno Nardelli M, Maiti A. Theoretical investigations of carbon nanotube growth Molecular Simulation. 25: 1-12.  0.96
2000 Bernholc J, Buongiorno Nardelli M, Fattebert JL, Orlikowski D, Roland C, Rosef F, Zhao Q. Atomic transformations and quantum transport in carbon nanotubes Materials Research Society Symposium - Proceedings. 593: 547-557.  0.96
2000 Bernholc J, Briggs EL, Bungaro C, Buongiorno Nardelli M, Fattebert JL, Rapcewicz K, Roland C, Schmidt WG, Zhao Q. Large-scale applications of real-space multigrid methods to surfaces, nanotubes, and quantum transport Physica Status Solidi (B) Basic Research. 217: 685-701.  0.96
1999 Bernholc J. Computational materials science: The era of applied quantum mechanics Physics Today. 52: 30-35.  0.96
1999 Boguslawski P, Bernholc J. Doping and segregation effects in AlGaN systems Ieee Semiconducting and Semi-Insulating Materials Conference, Simc. 233-238.  0.96
1999 Bogusławski P, Bernholc J. Segregation effects at vacancies in AlxGa1-xN and SixGe1-x alloys Physical Review B - Condensed Matter and Materials Physics. 59: 1567-1570.  0.96
1999 Nardelli MB, Bernholc J. Mechanical deformations and coherent transport in carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 60.  0.96
1999 Bungaro C, Rapcewicz K, Bernholc J. Surface sensitivity of impurity incorporation: Mg at GaN (0001) surfaces Physical Review B - Condensed Matter and Materials Physics. 59: 9771-9774.  0.96
1999 Ramamoorthy M, Briggs EL, Bernholc J. Defect energetics and impurity incorporation mechanisms at the arsenic-passivated Si(100) surface Physical Review B - Condensed Matter and Materials Physics. 60: 8178-8184.  0.96
1999 Ramamoorthy M, Briggs EL, Bernholc J. Chemical and strain effects on Boron-doped Si(100) Physical Review B - Condensed Matter and Materials Physics. 59: 4813-4821.  0.96
1999 Orlikowski D, Buongiorno Nardelli M, Bernholc J, Roland C. Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation? Physical Review Letters. 83: 4132-4135.  0.96
1999 Schmidt WG, Fattebert JL, Bernholc J, Bechstedt F. Self-energy effects in the optical anisotropy of GaP(001) Surface Review and Letters. 6: 1159-1165.  0.96
1999 Schmidt WG, Briggs EL, Bernholc J, Bechstedt F. Structural fingerprints in the reflectance anisotropy spectra of InP(001) (2x4) surfaces Physical Review B - Condensed Matter and Materials Physics. 59: 2234-2239.  0.96
1999 Frisch AM, Schmidt WG, Bernholc J, Pristovsek M, Esser N, Richter W. (2x4) GaP(001) surface: Atomic structure and optical anisotropy Physical Review B - Condensed Matter and Materials Physics. 60: 2488-2494.  0.96
1998 Nardelli MB, Roland C, Bernholc J. Theoretical bounds for multiwalled carbon nanotube growth Chemical Physics Letters. 296: 471-476.  0.96
1998 Ramamoorthy M, Briggs EL, Bernholc J. Chemical trends in impurity incorporation into Si(100) Physical Review Letters. 81: 1642-1645.  0.96
1998 Nardelli MB, Yakobson BI, Bernholc J. Mechanism of strain release in carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 57.  0.96
1998 Nardelli MB, Yakobson BI, Bernholc J. Brittle and ductile behavior in carbon nanotubes Physical Review Letters. 81: 4656-4659.  0.96
1998 Rapcewicz K, Chen B, Yakobson B, Bernholc J. Consistent methodology for calculating surface and interface energies Physical Review B - Condensed Matter and Materials Physics. 57: 7281-7291.  0.96
1998 Buongiorno Nardelli M, Brabec C, Maiti A, Roland C, Bernholc J. Lip-lip interactions and the growth of multiwalled carbon nanotubes Physical Review Letters. 80: 313-316.  0.96
1998 Bernholc J, Brabec C, Buongiorno Nardelli M, Maiti A, Roland C, Yakobson BI. Theory of growth and mechanical properties of nanotubes Applied Physics a: Materials Science and Processing. 67: 39-46.  0.96
1997 Bogusławski P, Bernholc J. Doping properties of C, Si, and Ge impurities in GaN and AlN Physical Review B - Condensed Matter and Materials Physics. 56: 9496-9505.  0.96
1997 Maiti A, Brabec CJ, Bernholc J. Kinetics of metal-catalyzed growth of single-walled carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 55.  0.96
1997 Nardelli MB, Rapcewicz K, Bernholc J. Strain effects on the interface properties of nitride semiconductors Physical Review B - Condensed Matter and Materials Physics. 55.  0.96
1997 Bernholc J, Roland C, Yakobson BI. Nanotubes Current Opinion in Solid State and Materials Science. 2: 706-715.  0.96
1997 Rapcewicz K, Nardelli MB, Bernholc J. Theory of surface morphology of wurtzite GaN (0001) surfaces Physical Review B - Condensed Matter and Materials Physics. 56.  0.96
1997 Nardelli MB, Rapcewicz K, Bernholc J. Theory of interfaces and surfaces in wide-gap nitrides Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures. 15: 1144-1147.  0.96
1997 Nardelli MB, Rapcewicz K, Bernholc J. Polarization field effects on the electron-hole recombination dynamics in In0.2Ga0.8N/In1-xGaxN multiple quantum wells Applied Physics Letters. 71: 3135-3137.  0.96
1997 Yakobson BI, Campbell MP, Brabec CJ, Bernholc J. High strain rate fracture and C-chain unraveling in carbon nanotubes Computational Materials Science. 8: 341-348.  0.96
1997 Nardelli MB, Rapcewicz K, Briggs EL, Bungaro C, Bernholc J. Theory of interfaces in wide-gap nitrides Materials Research Society Symposium - Proceedings. 449: 893-898.  0.96
1997 Rapcewicz K, Nardelli MB, Bungaro C, Briggs EL, Bernholc J. Theory of interfaces and surfaces of wide-gap nitrides Materials Research Society Symposium - Proceedings. 482: 899-904.  0.96
1997 Bernholc J, Briggs EL, Sullivan DJ, Brabec CJ, Buongiorno Nardelli M, Rapcewicz K, Roland C, Wensell M. Real-space multigrid methods for large-scale electronic structure problems International Journal of Quantum Chemistry. 65: 531-543.  0.96
1996 Yakobson BI, Brabec CJ, Bernholc J. Nanomechanics of carbon tubes: Instabilities beyond linear response Physical Review Letters. 76: 2511-2514. DOI: 10.1103/PhysRevLett.76.2511  0.96
1996 Bogusławski P, Bernholc J. Doping properties of amphoteric C, Si, and Ge impurities in GaN and AlN Acta Physica Polonica A. 90: 735-738.  0.96
1996 Briggs EL, Sullivan DJ, Bernholc J. Real-space multigrid-based approach to large-scale electronic structure calculations Physical Review B - Condensed Matter and Materials Physics. 54: 14362-14375.  0.96
1996 Yakobson BI, Brabec CJ, Bernholc J. Structural mechanics of carbon nanotubes: From continuum elasticity to atomistic fracture Journal of Computer-Aided Materials Design. 3: 173-182.  0.96
1996 Bogusławski P, Briggs EL, Bernholc J. Amphoteric properties of substitutional carbon impurity in GaN and AIN Applied Physics Letters. 69: 233-235.  0.96
1996 Sullivan DJ, Briggs EL, Brabec CJ, Bernholc J. Electronic structure calculations on a real-space mesh with multigrid acceleration Materials Research Society Symposium - Proceedings. 408: 145-156.  0.96
1996 Iijima S, Brabec C, Maiti A, Bernholc J. Structural flexibility of carbon nanotubes Journal of Chemical Physics. 104: 2089-2092.  0.96
1996 Roland C, Zhang QM, Boguslawski P, Bernholc J, Gilmer GH. Simulations of Si(100) growth: step flow and low temperature growth Materials Research Society Symposium - Proceedings. 399: 511-521.  0.96
1996 Bernholc J, Boguslawski P, Briggs EL, Buongiorno Nardelli M, Chen B, Rapcewicz K, Zhang Z. Theory of defects, doping, surfaces and interfaces in wide gap nitrides Materials Research Society Symposium - Proceedings. 423: 465-474.  0.96
1996 Nemanich RJ, Benjamin MC, Bozeman SP, Bremser MD, King SW, Ward BL, Davis RF, Chen B, Zhang Z, Bernholc J. (Negative) electron affinity of AlN and AlGaN alloys Materials Research Society Symposium - Proceedings. 395: 777-788.  0.96
1995 Zhang QM, Roland C, Bogusławski P, Bernholc J. Ab initio studies of the diffusion barriers at single-height Si(100) steps Physical Review Letters. 75: 101-104. DOI: 10.1103/PhysRevLett.75.101  0.96
1995 Wensell MG, Zhang Z, Bernholc J. Fluorine-based mechanisms for atomic-layer-epitaxial growth on diamond (110) Physical Review Letters. 74: 4875-4878. DOI: 10.1103/PhysRevLett.74.4875  0.96
1995 Briggs EL, Sullivan DJ, Bernholc J. Large-scale electronic-structure calculations with multigrid acceleration Physical Review B. 52. DOI: 10.1103/PhysRevB.52.R5471  0.96
1995 Maiti A, Brabec CJ, Roland C, Bernholc J. Theory of carbon nanotube growth Physical Review B. 52: 14850-14858. DOI: 10.1103/PhysRevB.52.14850  0.96
1995 Zhang Z, Wensell M, Bernholc J. Surface structures and electron affinities of bare and hydrogenated diamond C(100) surfaces Physical Review B. 51: 5291-5296. DOI: 10.1103/PhysRevB.51.5291  0.96
1995 Boguslawski P, Briggs EL, Bernholc J. Native defects in gallium nitride Physical Review B. 51: 17255-17258. DOI: 10.1103/PhysRevB.51.17255  0.96
1995 Bogusławski R, Zhang QM, Zhang Z, Roland C, Bernholc J. Ab initio studies of single-height Si(001) steps Materials Science and Engineering B. 30: 167-173. DOI: 10.1016/0921-5107(94)09011-4  0.96
1995 Brabec CJ, Maiti A, Roland C, Bernholc J. Growth of carbon nanotubes: a molecular dynamics study Chemical Physics Letters. 236: 150-155. DOI: 10.1016/0009-2614(95)00194-9  0.96
1995 Bogusławski P, Briggs EL, Bernholc J. Amphoteric properties of substitutional carbon impurity in GaN and AlN Applied Physics Letters. 233.  0.96
1995 Brabec CJ, Maiti A, Roland C, Bernholc J. Molecular dynamics studies of nanotube growth in a carbon arc Materials Research Society Symposium - Proceedings. 359: 235-240.  0.96
1994 Maiti A, Brabec CJ, Roland CM, Bernholc J. Growth energetics of carbon nanotubes Physical Review Letters. 73: 2468-2471. DOI: 10.1103/PhysRevLett.73.2468  0.96
1994 Bogusławski P, Zhang QM, Zhang Z, Bernholc J. Structure of monatomic steps on the Si(001) surface Physical Review Letters. 72: 3694-3697. DOI: 10.1103/PhysRevLett.72.3694  0.96
1994 Van Der Weide J, Zhang Z, Baumann PK, Wensell MG, Bernholc J, Nemanich RJ. Negative-electron-affinity effects on the diamond (100) surface Physical Review B. 50: 5803-5806. DOI: 10.1103/PhysRevB.50.5803  0.96
1994 Chen B, Zhang QM, Bernholc J. Si diffusion in GaAs and Si-induced interdiffusion in GaAs/AlAs superlattices Physical Review B. 49: 2985-2988. DOI: 10.1103/PhysRevB.49.2985  0.96
1994 Bernholc J, Brabec CJ, Maiti A, Yi JY. Structural transformations, reactions, and electronic properties of fullerenes, onions, and buckytubes Computational Materials Science. 2: 547-556. DOI: 10.1016/0927-0256(94)90086-8  0.96
1994 Brabec CJ, Maiti A, Bernholc J. Structural defects and the shape of large fullerenes Chemical Physics Letters. 219: 473-478. DOI: 10.1016/0009-2614(94)00119-7  0.96
1994 Hwang YG, Chen B, Boguslawski P, Bernholc J. Reconstructions at Si- and C-terminated surfaces of 2H-SiC: An ab initio molecular dynamics study Materials Research Society Symposium - Proceedings. 327: 293-297.  0.96
1994 Bernholc J, Chen B, Zhang Q, Wang C, Yakobson B. Impurity-enhanced disordering in superlattices Materials Science Forum. 143: 593-598.  0.96
1994 Boguslawski P, Briggs E, White TA, Wensell MG, Bernholc J. Native defects in wurtzite GaN and AIN Materials Research Society Symposium - Proceedings. 339: 693-698.  0.96
1993 Maiti A, Brabec CJ, Bernholc J. Structure and energetics of single and multilayer fullerene cages Physical Review Letters. 70: 3023-3026. DOI: 10.1103/PhysRevLett.70.3023  0.96
1993 Yi JY, Bernholc J. Reactivity, stability, and formation of fullerenes Physical Review B. 48: 5724-5727. DOI: 10.1103/PhysRevB.48.5724  0.96
1993 Yi JY, Bernholc J. Atomic structure and doping of microtubules Physical Review B. 47: 1708-1711. DOI: 10.1103/PhysRevB.47.1708  0.96
1993 Zhang QM, Bernholc J. AsGa-XI complexes as models for the EL2 center in GaAs Physical Review B. 47: 1667-1670. DOI: 10.1103/PhysRevB.47.1667  0.96
1993 Kajihara SA, Antonelli A, Bernholc J. Impurity incorporation and doping of diamond Physica B: Physics of Condensed Matter. 185: 144-149. DOI: 10.1016/0921-4526(93)90228-X  0.96
1993 Bernholc J, Yi JY, Zhang QM, Brabec CJ, Anderson EB, Davidson BN, Kajihara SA. Quantum molecular dynamics simulations of fullerenes and graphitic microtubules Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 26: 74-78. DOI: 10.1007/BF01429110  0.96
1992 Yi JY, Bernholc J. Atomic structure of Al-GaAs(110) interfaces. Physical Review Letters. 69: 486-489. PMID 10046951 DOI: 10.1103/PhysRevLett.69.486  0.96
1992 Brabec CJ, Anderson EB, Davidson BN, Kajihara SA, Zhang Q, Bernholc J, Tománek D. Precursors to C60 fullerene formation. Physical Review. B, Condensed Matter. 46: 7326-7328. PMID 10002465 DOI: 10.1103/PhysRevB.46.7326  0.96
1992 Wang C, Zhang QM, Bernholc J. Theory of Zn-enhanced disordering in GaAs/AlAs superlattices Physical Review Letters. 69: 3789-3792. DOI: 10.1103/PhysRevLett.69.3789  0.96
1992 Bernholc J, Kajihara SA, Wang C, Antonelli A, Davis RF. Theory of native defects, doping and diffusion in diamond and silicon carbide Materials Science and Engineering B. 11: 265-272. DOI: 10.1016/0921-5107(92)90222-U  0.96
1992 Yi JY, Bernholc J. Isomerization of C60 fullerenes The Journal of Chemical Physics. 96: 8634-8636.  0.96
1991 Yi JY, Oh DJ, Bernholc J. Structural distortions in metal clusters. Physical Review Letters. 67: 1594-1597. PMID 10044195 DOI: 10.1103/PhysRevLett.67.1594  0.96
1991 Zhang Q, Yi JY, Bernholc J. Structure and dynamics of solid C60. Physical Review Letters. 66: 2633-2636. PMID 10043572 DOI: 10.1103/PhysRevLett.66.2633  0.96
1991 Basa P, Schön JC, Berry RS, Bernholc J, Jellinek J, Salamon P. Shapes of wetted solids and sinters. Physical Review. B, Condensed Matter. 43: 8113-8122. PMID 9996436 DOI: 10.1103/PhysRevB.43.8113  0.96
1991 Kajihara SA, Antonelli A, Bernholc J, Car R. Nitrogen and potential n-type dopants in diamond Physical Review Letters. 66: 2010-2013. DOI: 10.1103/PhysRevLett.66.2010  0.96
1991 Berry RS, Bernholc J, Salamon P. Disappearance of grain boundaries in sintering Applied Physics Letters. 58: 595-597. DOI: 10.1063/1.105222  0.96
1991 Bernholc J, Yi JY, Sullivan DJ. Structural transitions in metal clusters Faraday Discussions. 92: 217-228. DOI: 10.1039/FD9919200217  0.96
1991 Davidson BN, Lucovsky G, Bernholc J. Effect of the local disorder in a-Si on the electronic density of states near the band edges Journal of Non-Crystalline Solids. 137: 307-310. DOI: 10.1016/S0022-3093(05)80117-6  0.96
1991 Yi JY, Bernholc J, Salamon P. Simulated annealing strategies for molecular dynamics Computer Physics Communications. 66: 177-180. DOI: 10.1016/0010-4655(91)90066-T  0.96
1990 Faux DA, Gaynor G, Carson CL, Hall CK, Bernholc J. Computer simulation studies of the growth of strained layers by molecular-beam epitaxy Physical Review B. 42: 2914-2922. DOI: 10.1103/PhysRevB.42.2914  0.96
1990 Carson CL, Bernholc J, Faux D, Hall CK. Efficient techniques for computer simulations of heteroepitaxial growth Applied Physics Letters. 56: 1971-1973. DOI: 10.1063/1.103014  0.96
1990 Yi JY, Oh DJ, Bernholc J, Car R. Structural transitions in aluminum clusters Chemical Physics Letters. 174: 461-466. DOI: 10.1016/S0009-2614(90)87180-Y  0.96
1990 Salamon P, Bernholc J, Berry RS, Carrera-Patiño ME, Andresen B. The wetted solid - A generalization of the Plateau problem and its implications for sintered materials Journal of Mathematical Physics. 31: 610-615.  0.96
1989 Antonelli A, Bernholc J. Pressure effects on self-diffusion in silicon Physical Review B. 40: 10643-10646. DOI: 10.1103/PhysRevB.40.10643  0.96
1989 Babić D, Rabii S, Bernholc J. Structural and electronic properties of arsenic chalcogenide molecules Physical Review B. 39: 10831-10838. DOI: 10.1103/PhysRevB.39.10831  0.96
1989 Amar F, Bernholc J, Berry RS, Jellinek J, Salamon P. The shapes of first-stage sinters Journal of Applied Physics. 65: 3219-3225. DOI: 10.1063/1.342674  0.96
1988 Bernholc J, Antonelli A, Del Sole TM, Bar-Yam Y, Pantelides ST. Mechanism of self-diffusion in diamond Physical Review Letters. 61: 2689-2692. DOI: 10.1103/PhysRevLett.61.2689  0.96
1988 Wang C, Bernholc J, Davis RF. Formation energies, abundances, and the electronic structure of native defects in cubic SiC Physical Review B. 38: 12752-12755. DOI: 10.1103/PhysRevB.38.12752  0.96
1987 Wong CK, Lucovsky G, Bernholc J. Intrinsic localized defect states in a-Se associated with dihedral angle distortions Journal of Non-Crystalline Solids. 97: 1171-1174. DOI: 10.1016/0022-3093(87)90279-1  0.96
1987 Liang KS, Bernholc J, Pan WH, Hughes GJ, Stiefel EI. Electronic structures of cluster compounds of MoS42-, Mo3S92-, and Ni(MoS4)22- by XPS studies Inorganic Chemistry. 26: 1422-1425.  0.96
1987 Bernholc J, Horsley JA, Murrell LL, Sherman LG, Soled S. Brønsted acid sites in transition metal oxide catalysts: Modeling of structure, acid strengths, and support effects Journal of Physical Chemistry. 91: 1526-1530.  0.96
1986 Bernholc J, Phillips JC. Kinetics of aggregation of carbon clusters Physical Review B. 33: 7395-7398. DOI: 10.1103/PhysRevB.33.7395  0.96
1986 Bernholc J, Phillips JC. Kinetics of cluster formation in the laser vaporization source: Carbon clusters The Journal of Chemical Physics. 85: 3258-3267.  0.96
1986 Bernholc J, Stiefel EI. Comparison of the electronic properties of Mo2O2(μ-S)2(S2)2 2- and Mo2S2(μ-S)2(S2)2 2- Inorganic Chemistry. 25: 3876-3879.  0.96
1985 Bernholc J. Modeling of defects in amorphous semiconductors: Threefold coordination in a-Si:H Journal of Non-Crystalline Solids. 75: 305-310. DOI: 10.1016/0022-3093(85)90235-2  0.96
1985 Bernholc J. IMPURITY INDUCED STATES IN AMORPHOUS HYDROGENATED SILICON . 781-787.  0.96
1985 Bernholc J, Stiefel EI. Electronic structure of MoS42- and Mo3S92- Inorganic Chemistry. 24: 1323-1330.  0.96
1984 Scheffler M, Bernholc J, Lipari NO, Pantelides ST. Electronic structure and identification of deep defects in GaP Physical Review B. 29: 3269-3282. DOI: 10.1103/PhysRevB.29.3269  0.96
1984 Bernholc J, Holzwarth NAW. Local density pseudopotential calculations for molecules: O2 and Mo2O2S2(S2)22- The Journal of Chemical Physics. 81: 3987-3995.  0.96
1983 Bernholc J, Holzwarth NAW. Local spin-density description of multiple metal-metal bonding: Mo2 and Cr2 Physical Review Letters. 50: 1451-1454. DOI: 10.1103/PhysRevLett.50.1451  0.96
1983 Divincenzo DP, Bernholc J, Brodsky MH. Localized states and the electronic properties of a hydrogenated defect in amorphous silicon Physical Review B. 28: 3246-3257. DOI: 10.1103/PhysRevB.28.3246  0.96
1982 Bernholc J, Lipari NO, Pantelides ST, Scheffler M. Electronic structure of deep sp-bonded substitutional impurities in silicon Physical Review B. 26: 5706-5715. DOI: 10.1103/PhysRevB.26.5706  0.96
1981 Scheffler M, Pantelides ST, Lipari NO, Bernholc J. Identification and properties of defects in GaP Physical Review Letters. 47: 413-416. DOI: 10.1103/PhysRevLett.47.413  0.96
1981 Bernholc J, Pantelides ST, Lipari NO, Baldereschi A. The electronic structure of deep SP-bonded acceptor impurities in semiconductors Solid State Communications. 37: 705-708. DOI: 10.1016/0038-1098(81)91082-6  0.96
1980 Bernholc J, Lipari NO, Pantelides ST. Scattering-theoretic method for defects in semiconductors. II. Self-consistent formulation and application to the vacancy in silicon Physical Review B. 21: 3545-3562. DOI: 10.1103/PhysRevB.21.3545  0.96
1980 Pantelides ST, Lipari NO, Bernholc J. The effective-mass nature of deep-level point-defect states in semiconductors Solid State Communications. 33: 1045-1049. DOI: 10.1016/0038-1098(80)90314-2  0.96
1979 Lipari NO, Bernholc J, Pantelides ST. Electronic structure of the Jahn-Teller distorted vacancy in silicon Physical Review Letters. 43: 1354-1357. DOI: 10.1103/PhysRevLett.43.1354  0.96
1979 Bernholc J, Pantelides ST, Lipari NO. ELECTRONIC STRUCTURE OF POINT DEFECTS IN SEMICONDUCTORS - A SELF-CONSISTENT SCATTERING-THEORETIC APPROACH Inst Phys Conf Ser. 429-432.  0.96
1978 Bernholc J, Lipari NO, Pantelides ST. Self-consistent method for Point defects in semiconductors: Application to the vacancy in silicon Physical Review Letters. 41: 895-899. DOI: 10.1103/PhysRevLett.41.895  0.96
1978 Bernholc J, Pantelides ST. Scattering-theoretic method for defects in semiconductors. I. Tight-binding description of vacancies in Si, Ge, and GaAs Physical Review B. 18: 1780-1789. DOI: 10.1103/PhysRevB.18.1780  0.96
1977 Bernholc J, Pantelides ST. Theory of binding energies of acceptors in semiconductors Physical Review B. 15: 4935-4947. DOI: 10.1103/PhysRevB.15.4935  0.96
1977 Pantelides S, Bernholc J. THEORY OF PHOTOIONIZATION CROSS SECTIONS OF IMPURITIES IN SEMICONDUCTORS Inst Phys Conf Ser. 465-471.  0.96
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