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

141 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
2020 Liu Y, Yang T, Zhang B, Williams T, Lin YT, Li L, Zhou Y, Lu W, Kim SH, Chen LQ, Bernholc J, Wang Q. Structural Insight in the Interfacial Effect in Ferroelectric Polymer Nanocomposites. Advanced Materials (Deerfield Beach, Fla.). e2005431. PMID 33150671 DOI: 10.1002/adma.202005431  0.344
2020 Liu Y, Zhang B, Xu W, Haibibu A, Han Z, Lu W, Bernholc J, Wang Q. Chirality-induced relaxor properties in ferroelectric polymers. Nature Materials. PMID 32601482 DOI: 10.1038/S41563-020-0724-6  0.413
2019 Ma C, Xiao Z, Lu W, Huang J, Hong K, Bernholc J, Li AP. Step edge-mediated assembly of periodic arrays of long graphene nanoribbons on Au(111). Chemical Communications (Cambridge, England). PMID 31528899 DOI: 10.1039/C9Cc05273A  0.305
2019 Liu Y, Zhang B, Haibibu A, Xu W, Han Z, Lu W, Bernholc J, Wang Q. Insights into the Morphotropic Phase Boundary in Ferroelectric Polymers from the Molecular Perspective Journal of Physical Chemistry C. 123: 8727-8730. DOI: 10.1021/Acs.Jpcc.9B01220  0.391
2018 Liu Y, Aziguli H, Zhang B, Xu W, Lu W, Bernholc J, Wang Q. Ferroelectric polymers exhibiting behaviour reminiscent of a morphotropic phase boundary. Nature. 562: 96-100. PMID 30283102 DOI: 10.1038/S41586-018-0550-Z  0.309
2017 Li Y, Hodak M, Lu W, Bernholc J. Selective sensing of ethylene and glucose using carbon-nanotube-based sensors: an ab initio investigation. Nanoscale. PMID 28084486 DOI: 10.1039/C6Nr07371A  0.327
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  0.37
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  0.51
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  0.555
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  0.314
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  0.368
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  0.547
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  0.323
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  0.608
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  0.332
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  0.347
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  0.366
2009 Pantelides ST, Bernholc J, Pollmann J, Lipari NO. Green's function scattering‐theoretic methods for point defects, surfaces, and interfaces in solids International Journal of Quantum Chemistry. 14: 507-521. DOI: 10.1002/Qua.560140845  0.513
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  0.316
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  0.346
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  0.385
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  0.315
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  0.666
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  0.37
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  0.588
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  0.392
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  0.372
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  0.544
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: 037404. PMID 15698323 DOI: 10.1103/Physrevlett.94.037404  0.326
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  0.645
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  0.597
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  0.631
2004 Edmonds KW, Bogusławski P, Wang KY, Campion RP, Novikov SN, Farley NR, Gallagher BL, Foxon CT, Sawicki M, Dietl T, Buongiorno Nardelli M, Bernholc J. Mn interstitial diffusion in (ga,mn)as. Physical Review Letters. 92: 037201. PMID 14753901 DOI: 10.1103/Physrevlett.92.037201  0.308
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  0.647
2004 Schmidt WG, Fuchs F, Hermann A, Seino K, Bechstedt F, Paßmann R, Wahl M, Gensch M, Hinrichs K, Esser N, Wang S, Lu W, Bernholc J. Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions Journal of Physics: Condensed Matter. 16: S4323-S4334. DOI: 10.1088/0953-8984/16/39/007  0.325
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  0.326
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  0.39
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. DOI: 10.1103/Physrevb.68.035329  0.357
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. DOI: 10.1103/Physrevb.67.235406  0.65
2003 Meunier V, Nardelli MB, Bernholc J, Zacharia T, Charlier J. Response to “Comment on ‘Intrinsic electron transport properties of carbon nanotube Y junctions’ ” [Appl. Phys. Lett. 83, 1674 (2003)] Applied Physics Letters. 83: 1676-1677. DOI: 10.1063/1.1604949  0.342
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  0.321
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  0.315
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  0.304
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. DOI: 10.1557/Proc-739-H5.7  0.322
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  0.35
2002 Boguslawski P, Bernholc J. Surface segregation of Ge at SiGe(001) by concerted exchange pathways Physical Review Letters. 88: 1661011-1661014. DOI: 10.1103/Physrevlett.88.166101  0.347
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. DOI: 10.1103/Physrevb.66.085334  0.344
2002 Zhao Q, Nardelli MB, Bernholc J. Ultimate strength of carbon nanotubes: A theoretical study Physical Review B. 65. DOI: 10.1103/Physrevb.65.144105  0.577
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  0.363
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  0.373
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  0.352
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  0.339
2001 Nardelli MB, Fattebert J, Bernholc J. Quantum Transport in Nanotube-Based Structures Mrs Proceedings. 706. DOI: 10.1557/Proc-706-Z8.2.1  0.363
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. DOI: 10.1103/Physrevb.64.245423  0.348
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. DOI: 10.1103/Physrevb.64.195419  0.38
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. DOI: 10.1103/Physrevb.63.045322  0.35
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. DOI: 10.1002/1521-396X(200112)188:4<1401::Aid-Pssa1401>3.0.Co;2-1  0.363
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  0.358
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. DOI: 10.1116/1.1305289  0.381
2000 Schmidt WG, Esser N, Frisch AM, Vogt P, Bernholc J, Bechstedt F, Zorn M, Hannappel T, Visbeck S, Willig F, Richter W. Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4) Physical Review B. 61: R16335-R16338. DOI: 10.1103/Physrevb.61.R16335  0.335
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. DOI: 10.1103/Physrevb.61.7604  0.348
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. DOI: 10.1103/Physrevb.61.6720  0.351
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. DOI: 10.1103/Physrevb.61.14194  0.352
2000 Roland C, Bernholc J, Brabec C, Buongiorno Nardelli M, Maiti A. Theoretical investigations of carbon nanotube growth Molecular Simulation. 25: 1-12. DOI: 10.1080/08927020008044108  0.341
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  0.343
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  0.4
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  0.583
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. DOI: 10.1002/(Sici)1521-3951(200001)217:1<685::Aid-Pssb685>3.0.Co;2-3  0.589
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. DOI: 10.1142/S0218625X99001281  0.382
1999 Esser N, Schmidt WG, Bernholc J, Frisch AM, Vogt P, Zorn M, Pristovsek M, Richter W, Bechstedt F, Hannappel T, Visbeck S. GaP(001) and InP(001): Reflectance anisotropy and surface geometry Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 17: 1691. DOI: 10.1116/1.590810  0.342
1999 Orlikowski D, Nardelli MB, Bernholc J, Roland C. Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation? Physical Review Letters. 83: 4132-4135. DOI: 10.1103/Physrevlett.83.4132  0.354
1999 Nardelli MB, Bernholc J. Mechanical deformations and coherent transport in carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 60. DOI: 10.1103/Physrevb.60.R16338  0.367
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. DOI: 10.1103/Physrevb.60.8178  0.38
1999 Frisch AM, Schmidt WG, Bernholc J, Pristovsek M, Esser N, Richter W. ( 2 × 4 ) GaP(001) surface: Atomic structure and optical anisotropy Physical Review B. 60: 2488-2494. DOI: 10.1103/Physrevb.60.2488  0.377
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. DOI: 10.1103/Physrevb.59.9771  0.312
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. DOI: 10.1103/Physrevb.59.4813  0.356
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. DOI: 10.1103/Physrevb.59.2234  0.347
1998 Ramamoorthy M, Briggs EL, Bernholc J. Chemical trends in impurity incorporation into Si(100) Physical Review Letters. 81: 1642-1645. DOI: 10.1103/Physrevlett.81.1642  0.325
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. DOI: 10.1103/Physrevlett.80.313  0.326
1998 Nardelli MB, Yakobson BI, Bernholc J. Mechanism of strain release in carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 57. DOI: 10.1103/Physrevb.57.R4277  0.339
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. DOI: 10.1103/Physrevb.57.7281  0.329
1998 Nardelli MB, Roland C, Bernholc J. Theoretical bounds for multiwalled carbon nanotube growth Chemical Physics Letters. 296: 471-476. DOI: 10.1016/S0009-2614(98)01068-9  0.33
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. DOI: 10.1007/S003390050735  0.378
1997 Rapcewicz K, Nardelli MB, Bungaro C, Briggs EL, Bernholc J. Theory of Interfaces and Surfaces of Wide-Gap Nitrides Mrs Proceedings. 482: 899. DOI: 10.1557/Proc-482-899  0.343
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. DOI: 10.1557/Proc-449-893  0.349
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. DOI: 10.1116/1.589429  0.379
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. DOI: 10.1103/Physrevb.56.R12725  0.331
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. DOI: 10.1103/Physrevb.56.9496  0.379
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. DOI: 10.1103/Physrevb.55.R7323  0.319
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. DOI: 10.1103/Physrevb.55.R6097  0.318
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. DOI: 10.1016/S0927-0256(97)00047-5  0.301
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. DOI: 10.1002/(Sici)1097-461X(1997)65:5<531::Aid-Qua18>3.0.Co;2-5  0.357
1996 Briggs EL, Sullivan DJ, Bernholc J. Real-space multigrid-based approach to large-scale electronic structure calculations. Physical Review. B, Condensed Matter. 54: 14362-14375. PMID 9985442 DOI: 10.1103/Physrevb.54.14362  0.356
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. DOI: 10.1557/Proc-423-465  0.391
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. DOI: 10.1557/Proc-408-145  0.34
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. DOI: 10.1557/Proc-399-511  0.319
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. DOI: 10.12693/Aphyspola.90.735  0.357
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  0.302
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. DOI: 10.1007/Bf01185652  0.314
1995 Briggs EL, Sullivan DJ, Bernholc J. Large-scale electronic-structure calculations with multigrid acceleration. Physical Review. B, Condensed Matter. 52: R5471-R5474. PMID 9981807 DOI: 10.1103/Physrevb.52.R5471  0.336
1995 Nemanich R, 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 Mrs Proceedings. 395: 777-788. DOI: 10.1557/Proc-395-777  0.364
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  0.342
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  0.35
1995 Bogusławski P, Briggs EL, Bernholc J. Amphoteric properties of substitutional carbon impurity in GaN and AlN Applied Physics Letters. 233. DOI: 10.1063/1.117934  0.377
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  0.351
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  0.326
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, Condensed Matter. 50: 5803-5806. PMID 9976944 DOI: 10.1103/Physrevb.50.5803  0.305
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  0.347
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  0.332
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  0.366
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  0.383
1993 Yi JY, Bernholc J. Reactivity, stability, and formation of fullerenes. Physical Review. B, Condensed Matter. 48: 5724-5727. PMID 10009105 DOI: 10.1103/Physrevb.48.5724  0.312
1993 Yi JY, Bernholc J. Atomic structure and doping of microtubules. Physical Review. B, Condensed Matter. 47: 1708-1711. PMID 10006204 DOI: 10.1103/Physrevb.47.1708  0.377
1993 Maiti A, Brabec CJ, Bernholc J. Zero And Finite Temperature Study Of Single Fullerene Cages And Carbon “Onions” — Geometry And Shape Modern Physics Letters B. 7: 1883-1895. DOI: 10.1142/S0217984993001892  0.399
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  0.325
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  0.348
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  0.317
1992 Davidson BN, Lucovsky G, Bernholc J. Defect States and Structural Disorder in a-Si. Mrs Proceedings. 258. DOI: 10.1557/Proc-258-263  0.361
1992 Bernholc J, Kajihara SA, Antonelli A. Theory of Doping of Diamond Mrs Proceedings. 242. DOI: 10.1557/Proc-242-323  0.34
1992 Zhang Q-, Yi J-, Brabec CJ, Anderson EB, Davidson BN, Kajihara SA, Bernholc J. Structure, Dynamics, And Formation Of Carbon And Aluminum Clusters International Journal of Modern Physics B. 6: 3667-3673. DOI: 10.1142/S0217979292001729  0.32
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  0.393
1991 Davidson BN, Lucovsky G, Bernholc J. Effect of the Local Disorder in a-Si on the Electronic Density of States at the Band Edges. Mrs Proceedings. 219: 581. DOI: 10.1557/Proc-219-581  0.367
1991 Bernholc J, Yi JY, Sullivan DJ. Structural transitions in metal clusters Faraday Discussions. 92: 217-228. DOI: 10.1039/Fd9919200217  0.312
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  0.358
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  0.538
1989 Antonelli A, Bernholc J. Pressure and Strain Effects on Diffusion Mrs Proceedings. 163. DOI: 10.1557/Proc-163-523  0.307
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  0.307
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  0.504
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  0.339
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  0.596
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  0.364
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  0.605
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  0.586
1981 DiVincenzo DP, Bernholc J, Brodsky MH. THE ELECTRONIC STRUCTURE OF A MODEL DEFECT IN HYDROGENATED AMORPHOUS SILICON Le Journal De Physique Colloques. 42: C4-137-C4-140. DOI: 10.1051/Jphyscol:1981426  0.353
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  0.532
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  0.547
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  0.493
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  0.531
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  0.531
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  0.522
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  0.509
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