Mark S. Hybertsen - Publications

Affiliations: 
Brookhaven National Laboratory, Upton, NY, United States 

118 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 M, Hybertsen MS, Wu Q. A Physical Model for Understanding the Activation of MoS2 Basal-plane Sulfur Atoms for the Hydrogen Evolution Reaction. Angewandte Chemie (International Ed. in English). PMID 32421919 DOI: 10.1002/Anie.202003091  0.342
2019 Lovat G, Doud EA, Lu D, Kladnik G, Inkpen MS, Steigerwald ML, Cvetko D, Hybertsen MS, Morgante A, Roy X, Venkataraman L. Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy. Chemical Science. 10: 930-935. PMID 30774887 DOI: 10.1039/C8Sc03502D  0.369
2019 Zhang SB, Hybertsen MS, Cohen ML, Louie SG, Tomanek D. Quasiparticle band gaps for ultrathin GaAs/AlAs(001) superlattices. Physical Review Letters. 63: 1495-1498. PMID 10040587 DOI: 10.1103/Physrevlett.63.1495  0.617
2019 Zhang SB, Cohen ML, Louie SG, Tománek D, Hybertsen MS. Quasiparticle band offset at the (001) interface and band gaps in ultrathin superlattices of GaAs-AlAs heterojunctions. Physical Review. B, Condensed Matter. 41: 10058-10067. PMID 9993390 DOI: 10.1103/Physrevb.41.10058  0.614
2019 Zhang SB, Tománek D, Cohen ML, Louie SG, Hybertsen MS. Evaluation of quasiparticle energies for semiconductors without inversion symmetry. Physical Review. B, Condensed Matter. 40: 3162-3168. PMID 9992253 DOI: 10.1103/Physrevb.40.3162  0.58
2019 Lin Y, Chen G, Sadowski JT, Li Y, Tenney SA, Dadap JI, Hybertsen MS, Osgood RM. Observation of intercalation-driven zone folding in quasi-free-standing graphene energy bands Physical Review B. 99. DOI: 10.1103/Physrevb.99.035428  0.318
2018 Hu X, Huang J, Wu L, Kaltak M, Fernandez-Serra MV, Meng Q, Wang L, Marschilok AC, Takeuchi ES, Takeuchi KJ, Hybertsen MS, Zhu Y. Atomic Scale Account of the Surface Effect on Ionic Transport in Silver Hollandite Chemistry of Materials. 30: 6124-6133. DOI: 10.1021/Acs.Chemmater.8B02575  0.343
2017 Kharche N, Muckerman JT, Hybertsen MS. Erratum: First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces [Phys. Rev. Lett. 113, 176802 (2014)]. Physical Review Letters. 118: 219902. PMID 28598652 DOI: 10.1103/Physrevlett.118.219902  0.375
2017 Kim HY, Hybertsen MS, Liu P. Controlled Growth of Ceria Nanoarrays on Anatase Titania Powder: A Bottom-up Physical Picture. Nano Letters. 17: 348-354. PMID 28073258 DOI: 10.1021/Acs.Nanolett.6B04218  0.311
2017 Kaltak M, Fernández-Serra M, Hybertsen MS. Charge localization and ordering in A2Mn8O16 hollandite group oxides: Impact of density functional theory approaches Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.075401  0.382
2017 Hybertsen MS. Modeling single molecule junction mechanics as a probe of interface bonding The Journal of Chemical Physics. 146: 092323. DOI: 10.1063/1.4975769  0.345
2016 Schiros T, Nordlund D, Palova L, Zhao L, Levendorf MP, Jaye C, Reichman DR, Park J, Hybertsen MS, Pasupathy AN. Atomistic Interrogation Of B-N Co-Dopant Structures And Their Electronic Effects In Graphene. Acs Nano. PMID 27327863 DOI: 10.1021/Acsnano.6B01318  0.313
2016 Hybertsen MS, Venkataraman L. Structure-Property Relationships in Atomic-Scale Junctions: Histograms and Beyond. Accounts of Chemical Research. PMID 26938931 DOI: 10.1021/Acs.Accounts.6B00004  0.377
2016 Mayers MZ, Hybertsen MS, Reichman DR. Description of quasiparticle and satellite properties via cumulant expansions of the retarded one-particle Green's function Physical Review B. 94. DOI: 10.1103/Physrevb.94.081109  0.369
2016 Liu M, Lyons JL, Yan D, Hybertsen MS. Semiconductor-Based Photoelectrochemical Water Splitting at the Limit of Very Wide Depletion Region Advanced Functional Materials. 26: 219-225. DOI: 10.1002/Adfm.201503692  0.333
2015 Adak O, Rosenthal E, Meisner J, Andrade EF, Pasupathy AN, Nuckolls C, Hybertsen MS, Venkataraman L. Flicker Noise as a Probe of Electronic Interaction at Metal-Single Molecule Interfaces. Nano Letters. 15: 4143-9. PMID 25942441 DOI: 10.1021/Acs.Nanolett.5B01270  0.316
2015 Hill HM, Rigosi AF, Roquelet C, Chernikov A, Berkelbach TC, Reichman DR, Hybertsen MS, Brus LE, Heinz TF. Observation of Excitonic Rydberg States in Monolayer MoS2 and WS2 by Photoluminescence Excitation Spectroscopy. Nano Letters. 15: 2992-7. PMID 25816155 DOI: 10.1021/Nl504868P  0.347
2015 Colabello DM, Camino FE, Huq A, Hybertsen M, Khalifah PG. Charge disproportionation in tetragonal La2MoO5, a small band gap semiconductor influenced by direct Mo-Mo bonding. Journal of the American Chemical Society. 137: 1245-57. PMID 25551640 DOI: 10.1021/Ja511218G  0.358
2015 Mayers MZ, Berkelbach TC, Hybertsen MS, Reichman DR. Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.161404  0.361
2015 Berkelbach TC, Hybertsen MS, Reichman DR. Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.085413  0.382
2014 Kharche N, Muckerman JT, Hybertsen MS. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces. Physical Review Letters. 113: 176802. PMID 25379929 DOI: 10.1103/Physrevlett.113.176802  0.429
2014 Chernikov A, Berkelbach TC, Hill HM, Rigosi A, Li Y, Aslan OB, Reichman DR, Hybertsen MS, Heinz TF. Exciton binding energy and nonhydrogenic Rydberg series in monolayer WS(2). Physical Review Letters. 113: 076802. PMID 25170725 DOI: 10.1103/Physrevlett.113.076802  0.434
2014 Berkelbach TC, Hybertsen MS, Reichman DR. Microscopic theory of singlet exciton fission. III. Crystalline pentacene. The Journal of Chemical Physics. 141: 074705. PMID 25149804 DOI: 10.1063/1.4892793  0.362
2014 Busby E, Berkelbach TC, Kumar B, Chernikov A, Zhong Y, Hlaing H, Zhu XY, Heinz TF, Hybertsen MS, Sfeir MY, Reichman DR, Nuckolls C, Yaffe O. Multiphonon relaxation slows singlet fission in crystalline hexacene. Journal of the American Chemical Society. 136: 10654-60. PMID 24983697 DOI: 10.1021/Ja503980C  0.319
2014 Aradhya SV, Nielsen A, Hybertsen MS, Venkataraman L. Quantitative bond energetics in atomic-scale junctions. Acs Nano. 8: 7522-30. PMID 24945851 DOI: 10.1021/Nn502836E  0.373
2014 van der Zande AM, Kunstmann J, Chernikov A, Chenet DA, You Y, Zhang X, Huang PY, Berkelbach TC, Wang L, Zhang F, Hybertsen MS, Muller DA, Reichman DR, Heinz TF, Hone JC. Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist. Nano Letters. 14: 3869-75. PMID 24933687 DOI: 10.1021/Nl501077M  0.383
2014 Prezzi D, Eom D, Rim KT, Zhou H, Xiao S, Nuckolls C, Heinz TF, Flynn GW, Hybertsen MS. Edge structures for nanoscale graphene islands on Co(0001) surfaces. Acs Nano. 8: 5765-73. PMID 24830340 DOI: 10.1021/Nn500583A  0.412
2014 Kharche N, Hybertsen MS, Muckerman JT. Computational investigation of structural and electronic properties of aqueous interfaces of GaN, ZnO, and a GaN/ZnO alloy. Physical Chemistry Chemical Physics : Pccp. 16: 12057-66. PMID 24686328 DOI: 10.1039/C4Cp00486H  0.349
2013 Kim T, Vázquez H, Hybertsen MS, Venkataraman L. Conductance of molecular junctions formed with silver electrodes. Nano Letters. 13: 3358-64. PMID 23731268 DOI: 10.1021/Nl401654S  0.309
2013 Widawsky JR, Chen W, Vázquez H, Kim T, Breslow R, Hybertsen MS, Venkataraman L. Length-dependent thermopower of highly conducting Au-C bonded single molecule junctions. Nano Letters. 13: 2889-94. PMID 23682792 DOI: 10.1021/Nl4012276  0.374
2013 Berkelbach TC, Hybertsen MS, Reichman DR. Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange. The Journal of Chemical Physics. 138: 114103. PMID 23534623 DOI: 10.1063/1.4794427  0.362
2013 Berkelbach TC, Hybertsen MS, Reichman DR. Microscopic theory of singlet exciton fission. I. General formulation. The Journal of Chemical Physics. 138: 114102. PMID 23534622 DOI: 10.1063/1.4794425  0.365
2013 Berkelbach TC, Hybertsen MS, Reichman DR. Theory of neutral and charged excitons in monolayer transition metal dichalcogenides Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.045318  0.403
2013 Virk KS, Hybertsen MS, Reichman DR. Microscopic theory to quantify the competing kinetic processes in photoexcited surface-coupled quantum dots Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.205426  0.362
2012 Vazquez H, Skouta R, Schneebeli S, Kamenetska M, Breslow R, Venkataraman L, Hybertsen MS. Probing the conductance superposition law in single-molecule circuits with parallel paths. Nature Nanotechnology. 7: 663-7. PMID 22941403 DOI: 10.1038/Nnano.2012.147  0.362
2012 Aradhya SV, Frei M, Hybertsen MS, Venkataraman L. Van der Waals interactions at metal/organic interfaces at the single-molecule level. Nature Materials. 11: 872-6. PMID 22886066 DOI: 10.1038/Nmat3403  0.36
2012 Virk KS, Reichman DR, Hybertsen MS. Effects of the interfacial polarization on tunneling in surface coupled quantum dots Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.165322  0.319
2011 Chen W, Widawsky JR, Vázquez H, Schneebeli ST, Hybertsen MS, Breslow R, Venkataraman L. Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes. Journal of the American Chemical Society. 133: 17160-3. PMID 21939263 DOI: 10.1021/Ja208020J  0.353
2011 Cheng ZL, Skouta R, Vazquez H, Widawsky JR, Schneebeli S, Chen W, Hybertsen MS, Breslow R, Venkataraman L. In situ formation of highly conducting covalent Au-C contacts for single-molecule junctions. Nature Nanotechnology. 6: 353-7. PMID 21552252 DOI: 10.1038/Nnano.2011.66  0.355
2011 Frei M, Aradhya SV, Koentopp M, Hybertsen MS, Venkataraman L. Mechanics and chemistry: single molecule bond rupture forces correlate with molecular backbone structure. Nano Letters. 11: 1518-23. PMID 21366230 DOI: 10.1021/Nl1042903  0.336
2010 Kamenetska M, Quek SY, Whalley AC, Steigerwald ML, Choi HJ, Louie SG, Nuckolls C, Hybertsen MS, Neaton JB, Venkataraman L. Conductance and geometry of pyridine-linked single-molecule junctions. Journal of the American Chemical Society. 132: 6817-21. PMID 20423080 DOI: 10.1021/Ja1015348  0.406
2010 Kang W, Hybertsen MS. Enhanced static approximation to the electron self-energy operator for efficient calculation of quasiparticle energies Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.195108  0.416
2010 Kang W, Hybertsen MS. Quasiparticle and optical properties of rutile and anatase TiO2 Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.085203  0.462
2009 Widawsky JR, Kamenetska M, Klare J, Nuckolls C, Steigerwald ML, Hybertsen MS, Venkataraman L. Measurement of voltage-dependent electronic transport across amine-linked single-molecular-wire junctions. Nanotechnology. 20: 434009. PMID 19801764 DOI: 10.1088/0957-4484/20/43/434009  0.331
2009 Eom D, Prezzi D, Rim KT, Zhou H, Lefenfeld M, Xiao S, Nuckolls C, Hybertsen MS, Heinz TF, Flynn GW. Structure and electronic properties of graphene nanoislands on Co(0001). Nano Letters. 9: 2844-8. PMID 19630380 DOI: 10.1021/Nl900927F  0.349
2009 Kamenetska M, Koentopp M, Whalley AC, Park YS, Steigerwald ML, Nuckolls C, Hybertsen MS, Venkataraman L. Formation and evolution of single-molecule junctions. Physical Review Letters. 102: 126803. PMID 19392306 DOI: 10.1103/Physrevlett.102.126803  0.37
2009 Quek SY, Kamenetska M, Steigerwald ML, Choi HJ, Louie SG, Hybertsen MS, Neaton JB, Venkataraman L. Mechanically controlled binary conductance switching of a single-molecule junction. Nature Nanotechnology. 4: 230-4. PMID 19350032 DOI: 10.1038/Nnano.2009.10  0.488
2009 Spataru CD, Hybertsen MS, Louie SG, Millis AJ. GW approach to Anderson model out of equilibrium: Coulomb blockade and false hysteresis in the I-V characteristics Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.155110  0.703
2008 Hybertsen MS, Venkataraman L, Klare JE, Whalley AC, Steigerwald ML, Nuckolls C. Amine-linked single-molecule circuits: systematic trends across molecular families. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 20: 374115. PMID 21694422 DOI: 10.1088/0953-8984/20/37/374115  0.37
2008 Ilan B, Florio GM, Hybertsen MS, Berne BJ, Flynn GW. Scanning tunneling microscopy images of alkane derivatives on graphite: role of electronic effects. Nano Letters. 8: 3160-5. PMID 18798685 DOI: 10.1021/Nl8014186  0.371
2008 Wang X, Spataru CD, Hybertsen MS, Millis AJ. Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.045119  0.64
2008 Gilman Y, Allen PB, Hybertsen MS. Density-Functional Study of Adsorption of Isocyanides on a Gold (111) Surface The Journal of Physical Chemistry C. 112: 3314-3320. DOI: 10.1021/Jp0745541  0.306
2007 Park YS, Whalley AC, Kamenetska M, Steigerwald ML, Hybertsen MS, Nuckolls C, Venkataraman L. Contact chemistry and single-molecule conductance: a comparison of phosphines, methyl sulfides, and amines. Journal of the American Chemical Society. 129: 15768-9. PMID 18052282 DOI: 10.1021/Ja0773857  0.363
2007 Quek SY, Venkataraman L, Choi HJ, Louie SG, Hybertsen MS, Neaton JB. Amine-gold linked single-molecule circuits: experiment and theory. Nano Letters. 7: 3477-82. PMID 17900162 DOI: 10.1021/Nl072058I  0.53
2007 Rim KT, Siaj M, Xiao S, Myers M, Carpentier VD, Liu L, Su C, Steigerwald ML, Hybertsen MS, McBreen PH, Flynn GW, Nuckolls C. Forming aromatic hemispheres on transition-metal surfaces. Angewandte Chemie (International Ed. in English). 46: 7891-5. PMID 17879251 DOI: 10.1002/Anie.200701117  0.338
2007 Quinn JR, Foss FW, Venkataraman L, Hybertsen MS, Breslow R. Single-molecule junction conductance through diaminoacenes. Journal of the American Chemical Society. 129: 6714-5. PMID 17488083 DOI: 10.1021/Ja0715804  0.374
2007 Quek SY, Neaton JB, Hybertsen MS, Kaxiras E, Louie SG. Negative differential resistance in transport through organic molecules on silicon. Physical Review Letters. 98: 066807. PMID 17358971 DOI: 10.1103/Physrevlett.98.066807  0.53
2007 Venkataraman L, Park YS, Whalley AC, Nuckolls C, Hybertsen MS, Steigerwald ML. Electronics and chemistry: varying single-molecule junction conductance using chemical substituents. Nano Letters. 7: 502-6. PMID 17253760 DOI: 10.1021/Nl062923J  0.4
2006 Neaton JB, Hybertsen MS, Louie SG. Renormalization of molecular electronic levels at metal-molecule interfaces. Physical Review Letters. 97: 216405. PMID 17155759 DOI: 10.1103/Physrevlett.97.216405  0.576
2006 Venkataraman L, Klare JE, Nuckolls C, Hybertsen MS, Steigerwald ML. Dependence of single-molecule junction conductance on molecular conformation. Nature. 442: 904-7. PMID 16929295 DOI: 10.1038/Nature05037  0.339
2006 Venkataraman L, Klare JE, Tam IW, Nuckolls C, Hybertsen MS, Steigerwald ML. Single-molecule circuits with well-defined molecular conductance. Nano Letters. 6: 458-62. PMID 16522042 DOI: 10.1021/Nl052373+  0.36
2006 Neaton JB, Hybertsen MS, Louie SG. Renormalization of molecular electronic levels at metal-molecule interfaces Physical Review Letters. 97. DOI: 10.1103/PhysRevLett.97.216405  0.518
2006 Bongiorno A, Pasquarello A, Hybertsen MS, Feldman LC. Ion scattering simulations of theSi(100)−SiO2interface Physical Review B. 74. DOI: 10.1103/Physrevb.74.075316  0.326
2006 Wang F, Wu Y, Hybertsen MS, Heinz TF. Auger recombination of excitons in one-dimensional systems Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.245424  0.348
2006 Zhou Z, Sfeir MY, Zhang L, Hybertsen MS, Steigerwald M, Brus L. Graphite, tubular PAHs, and the diffuse interstellar bands Astrophysical Journal. 638: L105-L108. DOI: 10.1086/501006  0.351
2006 Quek SY, Neaton JB, Hybertsen MS, Kaxiras E, Louie SG. First-principles studies of the electronic structure of cyclopentene on Si(001): Density functional theory and GW calculations Physica Status Solidi (B) Basic Research. 243: 2048-2053. DOI: 10.1002/Pssb.200666819  0.598
2005 Tulevski GS, Myers MB, Hybertsen MS, Steigerwald ML, Nuckolls C. Formation of catalytic metal-molecule contacts. Science (New York, N.Y.). 309: 591-4. PMID 16040702 DOI: 10.1126/Science.1112767  0.312
2005 Zhou Z, Steigerwald ML, Friesner RA, Brus L, Hybertsen MS. Structural and chemical trends in doped silicon nanocrystals: First-principles calculations Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.245308  0.449
2005 Zhou Z, Steigerwald ML, Friesner RA, Brus L, Hybertsen MS. Dopant local bonding and electrical activity near Si(001)-oxide interfaces Journal of Applied Physics. 98. DOI: 10.1063/1.2071447  0.373
2004 Zhou Z, Steigerwald M, Hybertsen M, Brus L, Friesner RA. Electronic structure of tubular aromatic molecules derived from the metallic (5,5) armchair single wall carbon nanotube. Journal of the American Chemical Society. 126: 3597-607. PMID 15025489 DOI: 10.1021/Ja039294P  0.429
2004 Bongiorno A, Pasquarello A, Hybertsen MS, Feldman L. Silicon crystal distortions at the Si(100)–SiO2 interface from analysis of ion-scattering Microelectronic Engineering. 72: 197-200. DOI: 10.1016/J.Mee.2003.12.036  0.305
2003 Bongiorno A, Pasquarello A, Hybertsen MS, Feldman LC. Transition structure at the Si(100)-SiO2 interface. Physical Review Letters. 90: 186101. PMID 12786026 DOI: 10.1103/Physrevlett.90.186101  0.318
2000 Raghavachari K, Pasquarello A, Eng J, Hybertsen MS. Chemisorption pathways and Si2p core-level shifts for the interaction of spherosiloxane clusters with Si(100): Implications for photoemission in Si/SiO2 systems Applied Physics Letters. 76: 3873-3875. DOI: 10.1063/1.126805  0.37
1998 Pasquarello A, Hybertsen MS, Car R. Interface structure between silicon and its oxide by first-principles molecular dynamics Nature. 396: 58-60. DOI: 10.1038/23908  0.309
1996 Pasquarello A, Hybertsen MS, Car R. Spherosiloxane H8Si8O12 clusters on Si(001): First-principles calculation of Si 2p core-level shifts. Physical Review. B, Condensed Matter. 54: R2339-R2342. PMID 9986172 DOI: 10.1103/Physrevb.54.R2339  0.366
1996 Zhu X, Hybertsen MS, Littlewood PB. Electron-hole system revisited: A variational quantum Monte Carlo study. Physical Review B. 54: 13575-13580. PMID 9985268 DOI: 10.1103/Physrevb.54.13575  0.377
1996 Pasquarello A, Hybertsen MS, Car R. Theory of Si 2p core-level shifts at the Si(001)-SiO2 interface. Physical Review. B, Condensed Matter. 53: 10942-10950. PMID 9982666 DOI: 10.1103/Physrevb.53.10942  0.357
1996 Pasquarello A, Hybertsen MS, Car R. Si 2p core-level shifts in small molecules: A first principles study Physica Scripta T. 66: 118-120. DOI: 10.1088/0031-8949/1996/T66/018  0.386
1996 Pasquarello A, Hybertsen MS, Car R. Structurally relaxed models of the Si(001)-SiO2 interface Applied Physics Letters. 68: 625-627. DOI: 10.1063/1.116489  0.343
1995 Zhu X, Littlewood PB, Hybertsen MS, Rice TM. Exciton condensate in semiconductor quantum well structures. Physical Review Letters. 74: 1633-1636. PMID 10059078 DOI: 10.1103/Physrevlett.74.1633  0.381
1995 Ackerman D, Shtengel G, Hybertsen M, Morton P, Kazarinov R, Tanbun-Ek T, Logan R. Analysis of gain in determining T/sub 0/ in 1.3 μm semiconductor lasers Ieee Journal of Selected Topics in Quantum Electronics. 1: 250-263. DOI: 10.1109/2944.401204  0.336
1993 Hybertsen MS, Needels M. First-principles analysis of electronic states in silicon nanoscale quantum wires. Physical Review B. 48: 4608-4611. PMID 10008942 DOI: 10.1103/Physrevb.48.4608  0.391
1992 Hybertsen MS, Stechel EB, Foulkes WM, Schlüter M. Model for low-energy electronic states probed by x-ray absorption in high-Tc cuprates. Physical Review. B, Condensed Matter. 45: 10032-10050. PMID 10000892 DOI: 10.1103/Physrevb.45.10032  0.408
1992 Hybertsen MS. Microscopic theory of heterojunction band offsets Materials Science and Engineering: B. 14: 254-261. DOI: 10.1016/0921-5107(92)90307-U  0.45
1992 Yin Y, Yan D, Pollak FH, Hybertsen MS, Vandenberg JM, Bean JC. Piezoreflectance of strained Si/Ge superlattices grown on Ge(001) Surface Science. 267: 99-102. DOI: 10.1016/0039-6028(92)91098-V  0.32
1991 Northrup JE, Hybertsen MS, Louie SG. Many-Body Calculation Of The Surface-State Energies For Si(111)2 1 Physical Review Letters. 66: 500-503. PMID 10043823 DOI: 10.1103/Physrevlett.66.500  0.553
1991 Chen CT, Sette F, Ma Y, Hybertsen MS, Stechel EB, Foulkes WM, Schulter M, Cheong SW, Cooper AS, Rupp LW, Batlogg B, Soo YL, Ming ZH, Krol A, Kao YH. Electronic states in La2-xSrxCuO4+ delta probed by soft-x-ray absorption. Physical Review Letters. 66: 104-107. PMID 10043153 DOI: 10.1103/Physrevlett.66.104  0.348
1991 Hybertsen MS. An Intrinsic Model for Radiative Recombination in Porous Silicon Mrs Proceedings. 256. DOI: 10.1557/Proc-256-179  0.33
1990 Hybertsen MS. Role of interface strain in a lattice-matched heterostructure. Physical Review Letters. 64: 555-558. PMID 10042014 DOI: 10.1103/Physrevlett.64.555  0.366
1990 Hybertsen MS, Stechel E, Schluter M, Jennison DR. Renormalization from density-functional theory to strong-coupling models for electronic states in Cu-O materials Physical Review B. 41: 11068-11072. PMID 9993525 DOI: 10.1103/Physrevb.41.11068  0.392
1990 Zhu X, Hybertsen MS, Louie SG. Theory of the Quasiparticle Effective Masses in Semiconductors based on an Electron Self Energy Approach Mrs Proceedings. 193. DOI: 10.1557/Proc-193-113  0.551
1990 Hybertsen MS, Louie SG. Self-Energy Approach to Quasiparticle Energies Using a Density Functional Treatment of Dielectric Screening Advances in Quantum Chemistry. 21: 155-174. DOI: 10.1016/S0065-3276(08)60596-1  0.546
1989 Schwartz GP, Hybertsen MS, Bevk J, Nuzzo RG, Mannaerts JP, Gualtieri GJ. Core-level photoemission measurements of valence-band offsets in highly strained heterojunctions: Si-Ge system. Physical Review. B, Condensed Matter. 39: 1235-1241. PMID 9948308 DOI: 10.1103/Physrevb.39.1235  0.321
1989 Hybertsen MS, Schlüter M, Christensen NE. Calculation of Coulomb-interaction parameters for La2CuO4 using a constrained-density-functional approach. Physical Review. B, Condensed Matter. 39: 9028-9041. PMID 9947628 DOI: 10.1103/Physrevb.39.9028  0.322
1989 Northrup JE, Hybertsen MS, Louie SG. Quasiparticle excitation spectrum for nearly-free-electron metals Physical Review B. 39: 8198-8208. PMID 9947529 DOI: 10.1103/Physrevb.39.8198  0.559
1989 Hybertsen MS, Schluter M, Stechel E, Jennison D. Renormalization from Density Functional Theory to Strong Coupling Models for the Electronic Structure of La2CuO4 Mrs Proceedings. 169. DOI: 10.1557/Proc-169-19  0.421
1989 Hybertsen MS. Interface Strain and the Valence Band Offset at the Lattice Matched In0.53Ga0.47As/InP (001) Interface Mrs Proceedings. 159. DOI: 10.1557/Proc-159-109  0.388
1989 Hybertsen MS. Effect of Strain and Interface Interdiffusion on the Valence Band Offset at Si/Ge Interfaces Mrs Proceedings. 148. DOI: 10.1557/Proc-148-329  0.344
1989 Schluter M, Hybertsen MS. The electronic structure of La2CuO4: Renormalization from density functional theory to strong coupling models Physica C-Superconductivity and Its Applications. 583-586. DOI: 10.1016/0921-4534(89)91163-5  0.434
1988 Becker RS, Swartzentruber BS, Vickers JS, Hybertsen MS, Louie SG. Geometric and local electronic structure of Si(111)-As. Physical Review Letters. 60: 116-119. PMID 10038213 DOI: 10.1103/Physrevlett.60.116  0.523
1988 Hybertsen MS, Louie SG. Theory of quasiparticle surface states in semiconductor surfaces. Physical Review B. 38: 4033-4044. PMID 9946778 DOI: 10.1103/Physrevb.38.4033  0.532
1988 Hybertsen MS, Louie SG. Model dielectric matrices for quasiparticle self-energy calculations. Physical Review B. 37: 2733-2736. PMID 9944839 DOI: 10.1103/Physrevb.37.2733  0.502
1988 Schluter M, Hybertsen MS, Christensen NE. Calculation of the Hubbard-Type Many Body Interaction Parameters using Constrained Density Functional Theory Mrs Proceedings. 141. DOI: 10.1557/Proc-141-97  0.412
1988 Hybertsen MS. The Self Energy Approach for Calculation of Quasiparticle Energies in Materials Systems Mrs Proceedings. 141. DOI: 10.1557/Proc-141-79  0.404
1988 Schluter M, Hybertsen MS, Christensen NE. Calculation of the many body interaction parameters in the highTc compound La2CuO4 Physica C-Superconductivity and Its Applications. 153: 1217-1218. DOI: 10.1016/0921-4534(88)90249-3  0.372
1988 Zhang S, Tománek D, Louie SG, Cohen ML, Hybertsen MS. Quasiparticle calculation of valence band offset of AlAs-GaAs(001) Solid State Communications. 66: 585-588. DOI: 10.1016/0038-1098(88)90213-X  0.599
1987 Northrup JE, Hybertsen MS, Louie SG. Theory of quasiparticle energies in alkali metals. Physical Review Letters. 59: 819-822. PMID 10035879 DOI: 10.1103/Physrevlett.59.819  0.563
1987 Hybertsen MS, Louie SG. Many-body calculation of surface states: As on Ge(111). Physical Review Letters. 58: 1551-1554. PMID 10034468 DOI: 10.1103/Physrevlett.58.1551  0.55
1987 Hybertsen MS, Louie SG. Erratum: Electron correlation and the band gap in ionic crystals Physical Review B. 35: 9308-9308. PMID 9949112 DOI: 10.1103/Physrevb.35.9308.2  0.498
1987 Hybertsen MS, Louie SG. Ab initio static dielectric matrices from the density-functional approach. II. Calculation of the screening response in diamond, Si, Ge, and LiCl. Physical Review B. 35: 5602-5610. PMID 9940771 DOI: 10.1103/Physrevb.35.5602  0.5
1987 Hybertsen MS, Louie SG. Ab initio static dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators. Physical Review B. 35: 5585-5601. PMID 9940770 DOI: 10.1103/Physrevb.35.5585  0.521
1987 Louie SG, Hybertsen MS. Theory of quasiparticle energies: Band gaps and excitation spectra in solids International Journal of Quantum Chemistry. 32: 31-44. DOI: 10.1002/Qua.560320706  0.544
1986 Hybertsen MS, Louie SG. Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies. Physical Review B. 34: 5390-5413. PMID 9940372 DOI: 10.1103/Physrevb.34.5390  0.554
1986 Hybertsen MS, Louie SG. Spin-orbit splitting in semiconductors and insulators from the ab initio pseudopotential. Physical Review B. 34: 2920-2922. PMID 9940000 DOI: 10.1103/Physrevb.34.2920  0.459
1985 Hybertsen MS, Louie SG. First-principles theory of quasiparticles: Calculation of band gaps in semiconductors and insulators. Physical Review Letters. 55: 1418-1421. PMID 10031814 DOI: 10.1103/Physrevlett.55.1418  0.527
1985 Hybertsen MS, Louie SG. Electron correlation and the band gap in ionic crystals. Physical Review B. 32: 7005-7008. PMID 9936836 DOI: 10.1103/Physrevb.32.7005  0.498
1984 Hybertsen MS, Louie SG. Nonlocal-density-functional approximation for exchange and correlation in semiconductors Physical Review B. 30: 5777-5790. DOI: 10.1103/Physrevb.30.5777  0.545
1984 Hybertsen MS, Louie SG. Non-local density functional theory for the electronic and structural properties of semiconductors Solid State Communications. 51: 451-454. DOI: 10.1016/0038-1098(84)91011-1  0.546
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