Publications of Prof. Shengbai Zhang

192 Y. Zhao, M. T. Lusk, A. C. Dillon, M. J. Heben, and S. B. Zhang, ¡°Boron-based organometallic nanostructures: hydrogenstorage properties and structure stability¡±, Nano Lett. 2008; 8; 157.
191 H. X. Yang, L. F. Xu, Z. Fang, C. Z. Gu, and S. B. Zhang, ¡°Bond Counting Rule for Carbon and Its Application to the Roughness of Diamond (001)¡±, Phys. Rev. Lett. 100, 026101 (2008).
190 McDonald, T. J.; Svedruzic, D.; Kim, Y.-H.; Blackburn, J. L.; Zhang, S. B.; King, P. W.; Heben, M. J. ¡°Wiring-Up Hydrogenase with Single-Walled Carbon Nanotubes¡±, Nano Lett. 2007; 7; 3528.
189 Y. Jiang, Y.-H. Kim, S. B. Zhang, P. Ebert, S. Yang, Z. Tang, K. Wu, and E. G. Wang, ¡°Growing extremely thin bulklike metal film on a semiconductor surface: Monolayer Al(111) on Si(111) ¡±, Appl. Phys. Lett. 91, 181902 (2007).
188 Sun, Y. Y.; Kim, Y.-H.; Zhang, S. B. ¡°Effect of Spin State on the Dihydrogen Binding Strength to Transition Metal Centers in Metal-Organic Frameworks¡±, J. Am. Chem. Soc. (Communication) 2007; 129: 12606.
187 . A. Allenic, W. Guo, Y. B. Chen, M. B. Katz, G. Y. Zhao, Y. Che, Z. D. Hu and B. Liu, S. B. Zhang, X. Q. Pan, ¡°Amphoteric phosphorus doping for stable p-type ZnO¡±, Advanced Materials 19, 3333 (2007).
186 Y. Zhao, M. J. Heben, A. C. Dillon, L. J. Simpson, J. L. Blackburn, H. C. Dorn, and S. B. Zhang, ¡°Nontrivial Tuning of the Hydrogen-Binding Energy to Fullerenes with Endohedral Metal Dopants¡±, J. Phys. Chem. C 2007, 111, 13275.
185 X. Ma, P. Jiang, Y. Qi, J. Jia, Y. Yang, W. Duan, W.-X. Li, X. Bao, S. B. Zhang, Q.-K. Xue, ¡°Experimental observation of quantum oscillation of surface chemical reactivities¡±, PNAS 104, 9204-9208 (2007).
184 . H. X. Yang, L. F. Xu, C. Z. Gu, and S. B. Zhang, ¡°First-principles study of oxygenated diamond (001) surfaces with and without hydrogen¡±, APPLIED SURFACE SCIENCE 253, 4260 (2007).
183 M.-H. Du, J. Feng, S. B. Zhang, ¡°Photo-Oxidation of Polyhydroxyl Molecules on TiO2 Surfaces: From Hole Scavenging to Light-Induced Self-Assembly of TiO2-Cyclodextrin Wires¡±, Phys. Rev. Lett. 98, 066102
182 Y. Qi, X. Ma, P. Jiang, S. Ji, Y. Fu, J.-F. Jia, Q.-K. Xue, and S. B. Zhang, ¡°Atomic-layer-resolved local work functions of Pb thin films and their dependence on quantum well states¡±, APPLIED PHYSICS LETTERS 90, 013109 (2007).
181 . Engtrakul C, Kim YH, Nedeljkovic JM, Ahrenkiel SP, Gilbert KEH, Alleman JL, Zhang SB, Micic OI, Nozik AJ, Heben MJ, ¡°Self-assembly of linear arrays of semiconductor nanoparticles on carbon single-walled nanotubes¡±, JOURNAL OF PHYSICAL CHEMISTRY B 110 (50): 25153-25157 DEC 21 2006.
180 M.-H. Du, H. M. Branz, R. S. Crandall, S. B. Zhang, ¡°Bistability-mediated carrier recombination at light-induced boron-oxygen complexes in silicon¡±, Phys. Rev. Lett. 97, 256602 (2006).
179 S. Limpijumnong, M. F. Smith, and S. B. Zhang, ¡°Characterization of As-doped, p-type ZnO by x-ray absorption near-edge structure spectroscopy: Theory¡±, Appl. Phys. Lett. 89, 222113 (2006).
178 J. G. Lu, Z. Z. Ye, G. D. Yuan, Y. J. Zeng, F. Zhuge, L. P. Zhu, B. H. Zhao, and S. B. Zhang, ¡°Electrical characterization of ZnO-based homojunctions¡±, Appl. Phys. Lett. 89, 053501 (2006).
177 X. N. Li, S. E. Asher, S. Limpijumnong, S. B. Zhang, S.-H. Wei, T. M. Barnes, T. J. Coutts, R. Noufi, ¡°Unintentional doping and compensation effects of carbon in metal-organic chemical-vapor deposition fabricated ZnO thin films¡±, J. Vac. Sci. Technol A 24, 1213 (2006).
176 T. J. Coutts, X. Li, T. M. Barnes, B. M. Keyes, C. L. Perkins, S. E. Asher, S. B. Zhang, S.-H. Wei, and S. Limpijumnong, ¡°Synthesis and characterization of nitrogen-doped ZnO films grown by MOCVD¡±, Chapter 3 in Zinc Oxide Bulk, Thin Films and Nanostructures, C. Jagadish and S. J. Pearton, eds. (Elsevier, Amsterdam, 2006), pp. 43-84.
175 L. Zhang, E. G. Wang, Q. K. Xue, S. B. Zhang, and Z. Zhang, ¡°Generalized electron counting in determination of metal-induced reconstruction of compound semiconductor surfaces¡±, Phys. Rev. Lett. 97, 126103 (2006).
174 M.-H. Du, S. Limpijumnong, and S. B. Zhang, ¡°Hydrogen-mediated nitrogen clustering in dilute III-V nitrides¡±, Phys. Rev. Lett. 97, 075503 (2006).
173 Y.-H. Kim, S. B. Zhang, Yang Yu, L. F. Xu, and C. Z. Gu, ¡°Dihydrogen bonding, p-type conductivity, and the true origin of work function change on hydrogenated diamond (001) surfaces¡±, Phys. Rev. B 74, 075329 (2006).
172 W. E. McMahon, I. G. Batyrev, T. Hannappel, J. M. Olson, and S. B. Zhang, ¡°5-7-5 line defects on As/Si(100): A general stress-relief mechanism for V/IV surfaces¡±, Phys. Rev. B 74, 033304 (2006).
171 Y. F. Zhao, A. C. Dillon, Y.-H. Kim, M. J. Heben, and S. B. Zhang, ¡°Self-catalyzed hydrogenation and dihydrogen adsorption on titanium carbide nanoparticles¡±, CHEMICAL PHYSICS LETTERS 425, 273 (2006).
170 . Y. J. Zeng, Z. Z. Ye, W. Z. Xu, J. G. Lu, H. P. He, L. P. Zhu, B. H. Zhao, C. Che, and S. B. Zhang, ¡°p-type behavior in nominally undoped ZnO thin films by oxygen plasma growth¡±, APPLIED PHYSICS LETTERS 88, 262103 (2006).
169 S. Limpijumnong, X. N. Li, S. H. Wei, and S. B. Zhang, ¡°Probing deactivations in Nitrogen doped ZnO by vibrational signatures: A first principles study¡±, PHYSICA B 376: 686 (2006).
168 M. H. Du, S. Limpijumnong, and S. B. Zhang, ¡°Ion relaxation and hydrogen LVM in H-irradiated GaAsN¡±, PHYSICA B 376: 583 (2006).
167 W. Z. Xu, Z. Z. Ye, Y. J. Zeng, L. P. Zhu, B. H. Zhao, L. Jiang, J. G. Lu, H. P. He, and S. B. Zhang, ¡°ZnO light-emitting diode grown by plasma-assisted metal organic chemical vapor deposition¡±, Appl. Phys. Lett. 88, 173506 (2006).
166 S. Na-Phattalung, M. F. Smith, K. Kim, M. H. Du, S. H. Wei, S. B. Zhang, S. Limpijumnong, ¡°First-principles study of native defects in anatase TiO2¡±, Phys. Rev. B 73, 125205 (2006).
165 X. N. Li, S. E. Asher, S. Limpijumnong, B. M. Keyes, C. L. Perkins, T. M. Barnes, H. R. Moutinho, J. M. Luther, S. B. Zhang, S.-H. Wei, T. J. Coutts, ¡°Impurity effects in ZnO and nitrogen-doped ZnO thin films fabricated by MOCVD¡±, J. Crys. Growth 287, 94 (2006).
164 Y.-H. Kim, Y. Zhao, A. Williamson, M. J. Heben, and S. B. Zhang, ¡°Non-dissociative adsorption of H2 molecules to metal atoms in light-element doped fullerenes¡±, Phys. Rev. Lett. 96, 016102 (2006).
163 S.-H. Wei and S. B. Zhang, ¡°Defect properties of CuInSe2 and CuGaSe2¡±, J. Phys. Chem. Solids 66, 1994 (2005).
162 . M.-H. Du and S. B. Zhang, ¡°Topological defects and the Staebler-Wronski effect in hydrogenated amorphous silicon¡±, Appl. Phys. Lett. 87, 191903 (2005).
161 D. C. Look, G. C. Farlow, P. Reunchan, S. Limpijumnong, S. B. Zhang, and K. Nordlund, ¡°Evidence for native-defect donors in n-type ZnO¡±, Phys. Rev. Lett. 95, 225502 (2005).
160 A. C. Dillon, J. L. Blackburn, P. A. Parilla, Y. Zhao, Y.-H. Kim, S. B. Zhang, A. H. Mahan, J. L. Alleman, K. M. Jones, K. E. H. Gilbert, and M. J. Heben, "Discovering the Mechanism of H2 Adsorption on Aromatic Carbon Nanostructures to Develop Adsorbents for Vehicular Applications", MRS Proceedings 837, "Materials for Hydrogen Storage¡ª2004", eds. M. J. Heben, I. M. Robertson, R. Stumpf, and T. Vogt, N4.2 (on-line).
159 Y.-H. Kim, Y. Zhao, M. J. Heben, and S. B. Zhang, ¡°Generalized Kubas Complexes as a Novel Means for Room Temperature Molecular Hydrogen Storage¡±, MRS Proceedings 837, ¡°Materials for Hydrogen Storage¡ª2004¡±, eds. M. J. Heben, I. M. Robertson, R. Stumpf, and T. Vogt, N3.21 (on-line).
158 . Y.-H. Kim, M. J. Heben, and S. B. Zhang, ¡°First-principles band offsets of carbon nanotubes with III-V semiconductors¡±, Physics of Semiconductors, eds, J. Menendez and C. G. Van de Walle, AIP Conference Proceedings 772, Melville, New York, 2005, p. 1031.
157 Y. Zhao, Y.-H. Kim, M.-H. Du, and S. B. Zhang, ¡°Icosahedral quantum dots and 2D quasicrystals for group IV semiconductors¡±, Physics of Semiconductors, eds, J. Menendez and C. G. Van de Walle, AIP Conference Proceedings 772, Melville, New York, 2005, p. 625.
156 N.Q. Thinh, I. Vorona, I. A. Buyanova, W.M. Chen, S. Y.G. Hong, C.W. Tu, Limpijumnong, and S. B. Zhang, ¡°Ga-interstitial related defects in Ga(Al)NP¡±, Physics of Semiconductors, eds, J. Menendez and C. G. Van de Walle, AIP Conference Proceedings 772, Melville, New York, 2005, p. 259.
155 M.-H. Du and S. B. Zhang, ¡°DX centers in GaAs and GaSb¡±, Phys. Rev. B 72, 075210 (2005).
154 F. Zhuge F, L. P. Zhu, Z. Z. Ye, D. W. Ma, J. G. Lu, J. Y. Huang, F. Z. Wang, Z. G. Ji, and S. B. Zhang, ¡°ZnO p-n homojunctions and ohmic contacts to Al-N-co-doped p-type ZnO¡±, Appl. Phys. Lett. 87, 092103 (2005).
153 M.-H. Du, S. Limpijumnong, and S. B. Zhang, ¡°Hydrogen pairs and local vibrational modes in H-irradiated GaAs:N¡±, Phys. Rev. B 72, 073202 (2005).
152 L. Zhang, S. B. Zhang, Q.-K. Xue, J.-F. Jia, and E. G. Wang, ¡°Electronic structure of identical metal cluster arrays on Si(111) - 7 x 7 surfaces¡±, Phys. Rev. B 72, 033315 (2005).
151 S. Limpijumnong, X. Li, S.-H. Wei, and S. B. Zhang, ¡°Substitutional diatomic molecule NO, NC, CO, N2, and O2, their vibrational frequencies, and the effects on p-doping of ZnO¡±, Appl. Phys. Lett. 86, 211910 (2005).
150 G. D. Yuan, Z. Z. Ye, L. P. Zhu, Q. Qian, B. H. Zhao, R. X. Fan, C. L. Perkins, and S. B. Zhang, ¡°Control of conduction type in Al- and N- co-doped ZnO thin films¡±, Appl. Phys. Lett. 86, 202106 (2005).
149 P. Carrier, S.-H. Wei, S. B. Zhang, and S. Kurtz, ¡°Evolution of structural properties and formation of N-N split interstitials in GaAs1-xNx alloys¡±, Phys. Rev. B 71, 165212 (2005).
148 S. Limpijumnong and S. B. Zhang, ¡°Resolving hydrogen binding sites by pressure ¡ª A first-principles prediction for ZnO¡±, Appl. Phys. Lett. 86, 151910 (2005).
147 Y. Zhao, Y.-H. Kim, A. C. Dillon, M. J. Heben, and S. B. Zhang, ¡°Hydrogen storage in novel organometallic buckyballs¡±, Phys. Rev. Lett. 94, 155504 (2005).
146 X. Li, B. Keyes, S. Asher, S. B. Zhang, S.-H. Wei, T. J. Coutts, S. Limpijumnong , C. G. Van de Walle, ¡°Hydrogen passivation effect in nitrogen-doped ZnO thin film¡±, Appl. Phys. Lett. 86, 122107 (2005).
145 N.Q. Thinh, I.P. Vorona, I. A. Buyanova, W.M. Chen, S. Limpijumnong, S.B. Zhang, Y.G. Hong, C.W. Tu, A. Utsumi, Y. Furukawa, S. Moon, A. Wakahara, and H. Yonezu, ¡°Properties of Ga-interstitial defects in (Al)GaNP¡±, Phys. Rev. B 71, 125209 (2005).
144
I. G. Batyrev, W. E. McMahon, S. B. Zhang, J. M. Olson, and S.-H. Wei, ¡°Step structures on III-V phosphide (001) surfaces: How do steps and Sb affect CuPt ordering of GaInP2?¡±, Phys. Rev. Lett. 94, 096101 (2005).
143

 

 J. Feng, S.-Y. Ding, M. P. Tucker, M. E. Himmel, Y.-H. Kim, S. B. Zhang, B. M. Keyes, and G. Rumbles, ¡°Cyclodextrin driven hydrophobic/hydrophilic transformation of semiconductor nanoparticles¡±, Appl. Phys. Lett. 86, 033108 (2005).
142 S. B. Zhang, A. Janotti, S.-H. Wei, and C. G. Van de Walle, ¡°Physics of defects and hydrogen in dilute nitrides¡±, IEE PROCEEDINGS-OPTOELECTRONICS 151, 369 (2004).
141 I. G. Batyrev, A. G. Norman, S. B. Zhang, and S.-H. Wei, "Quadruple-period ordering in MBE GaAsSb alloys", Mat. Res. Soc. Proc., 794, 297 (2004).
140 N. H. Nickel, M. D. McCluskey, and Shengbai Zhang (editors), Hydrogen in Semiconductors (MRS series, 813, 2004).
139 S. B. Zhang and S.-H. Wei, ¡°Theory of defects in dilute nitrides¡± in Physics and application of dilute nitrides edited by I. A. Buyanova and W. M. Chen (Taylor & Francis Books, New York, 2004), p. 223.
138 Y. Yu, C. Z. Gu, L. F. Xu, and S. B. Zhang, ¡°Ab initio structural characterization of a hydrogen-covered diamond (001) surface¡±, Phys. Rev. B 70, 125423 (2004).
137 N. Q. Thinh, I. P. Vorona, I. A. Buyanova, W. M. Chen, S. Limpijumnong, S. B. Zhang, Y. G. Hong, C. W. Tu, A. Utsumi, Y. Furukawa, S. Moon, A. Wakahara, and H. Yonezu, ¡°Identification of Ga-interstitial defects in GaNP and AlGaNP¡±, Phys. Rev. B 70 (Rapid Comm.), 121201 (2004).
136 S.-C. Li, J.-F. Jia, R.-F. Dou, Q.-K. Xue, I. G. Batyrev, and S. B. Zhang, ¡°Borderline magic clustering: The fabrication of tetravalent Pb cluster arrays on Si(111)-(7 ¡Á 7) surfaces¡±, Phys. Rev. Lett. 93, 116103 (2004).
135 Y. L. Wang, H.-J. Gao, H. M. Guo, H. W. Liu, I. G. Batyrev, W. E. McMahon, and S. B. Zhang, ¡°Tip size effect on STM image appearance for complex surfaces: Theory versus experiment for Si(111)-7x7¡±, Phys. Rev. B 70, 073312 (2004).
134 X. Luo, S. B. Zhang, and S.-H. Wei, ¡°Theory of Mn supersaturation in Si and Ge¡±, Phys. Rev. B 70, 033308 (2004).
133 Y. Zhao, Y.-H. Kim, M.-H. Du, and S. B. Zhang, ¡°First-principles prediction of icosahedral quantum dots for tetravalent semiconductors¡±, Phys. Rev. Lett. 93, 015502 (2004).
132 Y.-H. Kim, M. J. Heben, and S. B. Zhang, ¡°Nanotube wires on commensurate InAs surfaces: Binding energies, band alignments, and bipolar doping by the surfaces¡±, Phys. Rev. Lett. 92, 176102 (2004).
131 S. B. Zhang, L. Zhang, L. Xu, E. G. Wang, X. Liu, J.-F. Jia, and Q.-K. Xue, ¡°Spin driving reconstructions on the GaAs(001):Mn surface¡±, Phys. Rev. B 69 (Rapid Comm.), 121308 (2004).
130 S. Limpijumnong, S. B. Zhang, S.-H. Wei, and C. H. Park, ¡°Doping by large size-mismatched impurities: The microscopic origin for arsenic- or antimony-doped p-type zinc oxide¡±, Phys. Rev. Lett. 92, 155504 (2004).
129 S. B. Zhang and S.-H. Wei, ¡°Surface energy and the common dangling bond rule for semiconductors¡±, Phys. Rev. Lett. 92, 086102 (2004).
128 128. A. Janotti, S. B. Zhang, S.-H. Wei, and C. G. Van de Walle, ¡°Effects of N on the electronic structures of H defects in III-V semiconductors¡±, Optical Materials 25, 261 (2004).
127 A. Janotti S.-H. Wei, and S. B. Zhang, ¡°Donor-donor binding in semiconductors: Engineering shallow donor levels for ZnTe¡±, Appl. Phys. Lett. 83, 3522 (2003).
126 K. Wu, Y. Fujikawa, T. Nagao, Y. Hasegawa, K. S. Nakayama, Q. K. Xue, E. G. Wang, T. Briere, V. Kumar, Y. Kawazoe, S. B. Zhang, and T. Sakurai, ¡°Na adsorption on the Si(111)¨C(7¡Á7) surface: From two-dimensional gas to nanocluster array¡±, Phys. Rev. Lett. 91, 126101 (2003).
125 C.-H. Chang, S.-H. Wei, J. W. Johnson, S. B. Zhang, N. Leyarovska, G. Bunker, and T. J. Anderson, ¡°Local structure of CuIn3Se5: X-ray absorption fine structure study and first-principles calculations¡±, Phys. Rev. B 68, 054108 (2003).
124 X. Luo, S. B. Zhang, and S.-H. Wei, ¡°Electronic and optical properties of ?-layer GaN/(GaAs)n superlattices¡±, Phys. Rev. B 67, 235305 (2003).
123 S.-H. Wei, X. Nie, I. G. Batyrev, and S. B. Zhang, ¡°Breakdown of the band-gap-common-cation rule: The origin of the small band gap of InN¡±, Phys. Rev. B 67, 165209 (2003).
122 A. Janotti, S.-H. Wei, S. B. Zhang, S. Kurtz, and C. G. Van de Walle, ¡°Interactions between nitrogen, hydrogen, and gallium vacancies in GaAs1-xNx alloys¡±, Phys. Rev. B 67 (Rapid Comm.), 161201 (2003).
121 X. Luo, S. B. Zhang, and S.-H. Wei, ¡°Understanding ultrahigh doping: The case of boron in silicon¡±, Phys. Rev. Lett. 90, 026103 (2003).
120 I. G. Batyrev, A. G. Norman, S. B. Zhang, and S.-H. Wei, ¡°Growth model for atomic ordering: The case for quadruple-period ordering in GaAsSb alloys¡±, Phys. Rev. Lett. 90, 026102 (2003).
119 J.-F. Jia, X. Liu, S. C. Li, J.-Z. Wang, J. L. Li, H. Liu, M. H. Pan, R. F. Dou, Q.-K. Xue, Z.-Q. Li, and S. B. Zhang, ¡°Artificial metal nanocluster crystals¡±, Mod. Phys. Lett. B 16, 889 (2002).
118 J.-F. Jia, J.-Z. Wang, X. Liu, X. S. Wang, Q.-K. Xue, Z.-Q. Li, and S. B. Zhang, Spontaneous assembly of perfectly ordered identical-size nanocluster arrays¡±, Nanotechnology 13, 736 (2002).
117 Y. Yan, S. B. Zhang, and M. M. Al-Jassim, ¡°Graphite-like surface reconstructions on C{111} and their implication for n-type diamond¡±, Phys. Rev. B 66 (Rapid Comm.), 201401 (2002).
116 J.-F. Jia, J.-Z. Wang, X. Liu, X. S. Wang, Q.-K. Xue, Z.-Q. Li, Z. Zhang, and S. B. Zhang, ¡°Towards spontaneous assembly of perfectly ordered identical-size nanocluster arrays¡±, Proceedings of the 26th International Conference on the Physics of Semiconductors (in CD format).
115 J.-F. Jia, X. Liu, J.-Z. Wang, J.-L. Li, X. S. Wang, Q.-K. Xue, Z.-Q. Li, Z. Zhang, and S. B. Zhang, ¡°Fabrication and structural analysis of Al, Ga, and In nanocluster crystals¡±, Phys. Rev. B 66, 165412 (2002).
114 S.-H. Wei and S. B. Zhang, ¡°Chemical trends of the defect formation and the doping limit in II-VI semiconductors: The case of CdTe¡±, Phys. Rev. B 66, 155211 (2002).
113 A. Janotti, S. B. Zhang, S.-H. Wei, and C. G. Van de Walle, ¡°Effects of hydrogen on the electronic properties of dilute GaAsN alloys¡±, Phys. Rev. Lett. 89, 086403 (2002).
112 S. B. Zhang, ¡°Microscopic origin of the doping limits in semiconductors and wide-gap materials and recent developments in overcoming these limits: A review¡±, J. Phys.: Condens. Matter 14, R881 (2002).
111 X. Luo, S. B. Zhang, and S.-H. Wei, ¡°Chemical design of direct-gap light-emitting silicon¡±, Phys. Rev. Lett. 89, 076802 (2002).
110 W. E. McMahon, I. G. Batyrev, J. M. Olson, and S. B. Zhang, ¡°Strain-driven mesoscopic reconstruction of the As/Ge(111) surface¡±, Phys. Rev. Lett. 89, 076103 (2002).
109 C. H. Park, S. B. Zhang, and S.-H. Wei, ¡°Origin of p-type doping difficulty in ZnO: The impurity perspective¡±, Phys. Rev. B 66, 073202 (2002).
108 S. B. Zhang and S.-H. Wei, ¡°Self-doping of cadmium stannate in the inverse spinel structure¡±, Appl. Phys. Lett. 80, 1376 (2002).
107 J. Jia, J.-Z. Wang, X. Liu, Q.-K. Xue, Z.-Q. Li, Y. Kawazoe, and S. B. Zhang, ¡°Artificial nanocluster crystal: Lattice of identical Al clusters¡±, Appl. Phys. Lett. 80, 3186 (2002).
106 A. Janotti, S.-H. Wei, and S. B. Zhang, ¡°Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs¡±, Phys. Rev. B 65, 115203 (2002).
105 S. B. Zhang and S.-H. Wei, ¡°Reconstruction and energetics of the polar (112) and ( ) versus the nonpolar (220) surfaces of CuInSe2¡±, Phys. Rev. B 65 (Rapid Comm.), 081402 (2002).
104 X. Nie, S.-H. Wei, and S. B. Zhang, ¡°First-principles study of transparent p-type conductive SrCu2O2 and related compounds¡±, Phys. Rev. B 65, 075111 (2002).
103 103. A. Janotti, S. B. Zhang, and S.-H. Wei, ¡°Hydrogen vibration modes in GaP:N: The pivotal role of nitrogen in stabilizing the H2* complex¡±, Phys. Rev. Lett. 88, 125506 (2002).
102 X. Nie, S.-H. Wei, and S. B. Zhang, ¡°Bipolar doping and band gap anomalies in delafossite transparent conductive oxides¡±, Phys. Rev. Lett. 88, 066405 (2002).
101 J.-L. Li, J.-F. Jia, X.-J. Liang, X. Liu, J.-Z. Wang, Q.-K. Xue, Z.-Q. Li, J. S. Tse, Z. Zhang, and S. B. Zhang, ¡°Spontaneous assembly of perfectly ordered identical-size nanocluster arrays¡±, Phys. Rev. Lett. 88, 066101 (2002).
100 S.-H. Wei and S. B. Zhang, ¡°First-principles study of doping limits of CdTe¡±, Phys. Stat. Sol. (b) 229, 305 (2002).
99 S. B. Zhang and S.-H. Wei, ¡°Nitrogen solubility and N-induced defect complexes in epitaxial GaAs:N¡±, Physica B 308, 839 (2001).
98 S. B. Zhang, W. E. McMahon, J. M. Olson, and S.-H. Wei, ¡°Steps on As-terminated Ge(001) revisited: Theory versus experiment¡±, Phys. Rev. Lett. 87, 166104 (2001).
97 S. B. Zhang and H. M. Branz, ¡°Hydrogen above saturation at silicon vacancies: H-pair reservoirs and metastability sites¡±, Phys. Rev. Lett. 87, 105503 (2001).
96 A. Janotti, S.-H. Wei, S. B. Zhang, and S. Kurtz, ¡°Structural and electronic properties of ZnGeAs2¡±, Phys. Rev. B 63, 195210 (2001).
95 Y. Yan, S. B. Zhang, and S. T. Pantelides, ¡°Control of doping by impurity chemical potential ¡ª Predication for p-type ZnO¡±, Phys. Rev. Lett. 86, 5723 (2001).
94 S. B. Zhang, S.-H. Wei, and A. Zunger, ¡°Intrinsic n-type versus p-type doping asymmetry and the defect physics of ZnO¡±, Phys. Rev. B 63, 075205 (2001).
93 S. B. Zhang and S.-H. Wei, ¡°Nitrogen solubility and induced defect complexes in epitaxial GaAs:N¡±, Phys. Rev. Lett. 86, 1789 (2001).
92 F. A. Reboredo, S. B. Zhang and A. Zunger, ¡°Hydrogen induced instability on the flat Si(001) surface via steric repulsion¡±, Phys. Rev. B 63, 125316 (2001).
91 S.-H. Wei and S. B. Zhang, ¡°Electronic structures and defect physics of Cd-based semiconductors¡±, IEEE PV Specialists Conference Proceedings, 483 (2000).
90 S.-H. Wei and S. B. Zhang, ¡°ZB/WZ band offsets and carrier localization in CdTe solar cells¡±, Program and Proceedings: NCPV Program Review Meeting 2000, 16-19 April 2000, Denver, Colorado. NREL/BK-520-28064. Golden, CO: National Renewable Energy Laboratory pp. 293-294.
89 S. B. Zhang, S.-H. Wei, and Y. Yan, ¡°The thermodynamics of codoping: How does it work?¡±, Physica B 302/303, 135 (2001).
88 S. B. Zhang and S.-H. Wei, ¡°Nitrogen solubility and nitrogen induced defect complexes in epitaxially grown GaAsN¡±, Proceedings of the 25th International Conference on the Physics of Semiconductors (edt. N. Miura, T. Ando, Springer, Berlin), 1493 (2001).
87 S. B. Zhang and H. M. Branz, ¡°A novel biexcitonic, non-radiative electron-hole recombination mechanism and its application in hydrogenated silicon semiconductors¡±, Proceedings of the 25th International Conference on the Physics of Semiconductors (edt. N. Miura, T. Ando, Springer, Berlin), 185, (2001).
86 S.-H. Wei and S. B. Zhang, ¡°First-principles study of cation distribution in eighteen closed-shell AIIB2IIIO4 and AIVB2IIO4 spinel oxides¡±, Phys. Rev. B 63, 045112 (2001).
85 Y. Yan, M. M. Al-Jassim, K. M. Jones, S.-H. Wei, and S. B Zhang, ¡°Observation and first-principles calculation of buried wurzite phases in zinc-blende CdTe thin films¡±, Appl. Phys. Lett. 77, 1461 (2000).
84 S.-H. Wei and S. B. Zhang, ¡°Structure stability and carrier localization in Cd-based semiconductors¡±, Phys. Rev. B 62, 6944 (2000).
83 S.-H. Wei, S. B. Zhang, and A. Zunger, ¡°Band structure and stability of ternary semiconductor polytypes¡±, H. L. Hwang, H. L., et al., eds. Japanese Journal of Applied Physics Supplement 39-1. ICTMC-12: Proceedings of the 12th International Conference on Ternary and Multinary Compounds, 13-17 March 2000, Hsin-chu, Taiwan, 39, pp. 237-238 (2000).
82 S.-H. Wei, S. B. Zhang and A. Zunger, ¡°Defect physics of the Chalcopyrite Semiconductors¡±, in Monographs in Condensed Matter Science: Physics and control of defects in Semiconductors, edited by H. Katayama-Yoshida, (Gordon and Breach, London, 2000).
81 . S.-H. Wei, S. B. Zhang, and A. Zunger, ¡°First-principles calculation of band offsets, optical bowings, and defects in CdS, CdSe, CdTe and their alloys", J. Appl. Phys. 87, 1304 (2000).
80 J.-H. Cho, S. B. Zhang, and A. Zunger, ¡°Indium-indium pair correlation and surface segregation in InGaAs alloys¡±, Phys. Rev. Lett. 84, 3654 (2000).
79 S. B. Zhang, S.-H. Wei, and A. Zunger, ¡°Microscopic origin of the phenomenological equilibrium ¡®doping limit rule¡¯ in n-type III-V semiconductors¡±, Phys. Rev. Lett. 84, 1232 (2000).
78 S. B. Zhang and H. M. Branz, ¡°Nonradiative electron-hole recombination by a low-barrier pathway in hydrogenated silicon semiconductors¡±, Phys. Rev. Lett. 84, 967 (2000).
77 J.-H. Cho and S. B. Zhang, ¡°Comment on ¡®identification of the Si 2p surface core level shifts on the Sb/Si (001)-(2x) interface¡¯¡±, Phys. Rev. Lett. 82, 4564 (1999).
76 S. B. Zhang, ¡°Defect metastability in surfaces: A study of EL2 defect in GaAs (110)¡±, Phys. Rev. B 60, 4462 (1999).
75 S. B. Zhang, S.-H. Wei, and A. Zunger, ¡°Overcoming doping bottlenecks in semiconductors and wide-gap materials¡±, Physica B 273/274, 976 (1999).
74 S.-H. Wei, S. B. Zhang, and A. Zunger, ¡°Band structure and stability of zinc-blende-based semiconductor polytypes¡±, Phys. Rev. B 59 (Rapid Comm.), R2478 (1999).
73 S.-H. Wei, S. B. Zhang, and A. Zunger, ¡°Effects of Na on the electrical and structural properties of CuInSe2¡±, J. Appl. Phys. 85, 7214 (1999).
72 S. B. Zhang, S.-H. Wei and A. Zunger, ¡°Elements of doping engineering in semiconductors¡±, in Proceedings of the 15th NCPV Photovoltaics Program Review, edited by M. Al-Jassim, J. P. Thornton, and J. M. Gee, (AIP, New York, 1999), p. 62.
71 S.-H. Wei, S. B. Zhang and A. Zunger, ¡°The effects of Ga addition to CuInSe2 on its electronic, structural, and defect properties¡±, Appl. Phys. Lett. 72, 3199 (1998).
70 A. Zunger, S. B. Zhang, and S.-H. Wei, ¡°Revisiting the defect physics in CuInSe2 and CuGaSe2¡±, in Proceedings of the 26th IEEE PV specialist conf., edited by P. A. Basore, (AIP, New York, 1998), p. 313.
69 S.-H. Wei, S. B. Zhang, and A. Zunger, ¡°Why is heavily-defected CuInSe2 a good opto-electronic material: Defect physics in CuInSe2¡±, in Proceedings of the 11th inter. conf. of ternary and multinary compounds, edited by R. D. Tomlinson (AIP, New York, 1998), p. 765.
68 S. B. Zhang, S.-H. Wei and A. Zunger, ¡°A phenomenological model for systematization and prediction of doping limits in II-VI and I-III-VI2 compounds¡±, J. Appl. Phys. 83, 3192 (1998).
67 S. B. Zhang, S.-H. Wei, A. Zunger, and H. Katayama-Yoshida, ¡°Defects physics of the CuInSe2 chalcopyrite semiconductor¡±, Phys. Rev. B 57, 9642 (1998).
66 S. B. Zhang and A. Zunger, ¡°Reply to Comment on ¡®Structure of the As Vacancies on GaAs (110) Surfaces¡¯¡±, Phys. Rev. Lett. 79, 3313 (1997).
65 S. B. Zhang and A. Zunger, ¡°Surface-reconstruction-enhanced solubility of N, P, As and Sb in III-V semiconductors¡±, Appl. Phys. Lett. 71, 677 (1997).
64 A. Zunger, S. B. Zhang and S.-H. Wei, ¡°Why is CuInSe2 tolerant to defects and what is the origin of ¡®ordered defect structures¡¯¡±, in Proceedings of the 14th NREL PV Program Review, edited by C. E. Witt, (AIP, New York, 1997), p.63.
63 S. B. Zhang, S.-H. Wei and A. Zunger, ¡°Stabilization of ternary compounds via ordered arrays of defect pairs¡±, Phys. Rev. Lett. 78, 4059 (1997).
62 S. B. Zhang, S. Froyen and A. Zunger, ¡°Theory of surface dimerization-induced ordering in GaInP alloys¡± in Optoelectronic materials: Ordering, composition modulation, and self-assembled structures, edited by E. D. Jones, A. Mascarenhas, and P. Petroff, (MRS series, 417, 1996), p. 43.
61 S. B. Zhang and A. Zunger, ¡°Predicted structures and stabilities of the surface A grooves and double bilayer height steps on the GaAs (001)-2x4 surface¡±, J. Crystal Growth 163, 113 (1996).
60 S. B. Zhang and A. Zunger, ¡°Structure of the As vacancies on GaAs (110) surfaces¡±, Phys. Rev. Lett. 77, 119 (1996).
59 S. B. Zhang and A. Zunger, ¡°The method of ¡®linear combination of structural motifs¡¯ for surface and step energy calculations: application to GaAs (001)¡±, Phys. Rev. B 53, 1343 (1996).
58 S. B. Zhang, S. H. Wei and A. Zunger, ¡°d-band excitation in II-VI semiconductors: a broken-symmetry approach to the core hole¡±, Phys. Rev. B 52, 13975 (1995).
57. S. B. Zhang, S. Froyen, and A. Zunger, ¡°Surface dimerization induced CuPt-B versus CuPt-A ordering of GaInP alloys¡±, Appl. Phys. Lett. 67, 3141 (1995).
56. A. Zunger, C. Y. Yeh, L. W. Wang and S. B. Zhang, ¡°Electronic structure of silicon quantum films, wires and dots: how good is the effective mass approximation?¡± The physics of semiconductors, ed. by D. J. Lockwood (World Scientific, Singapore, 1995), p. 1763.
55 . S. B. Zhang and A. Zunger, ¡°Structure and formation energy of steps on the GaAs (001)-2x4 surface¡±, Mat. Sci. & Engin. B 30, 127 (1995).
54 . C. Y. Yeh, S. B. Zhang and A. Zunger, ¡°Confinement, surface, and chemisorption effects on the optical properties of Si quantum wires¡±, Phys. Rev. B 50, 14405 (1994).
53 . J. E. Northrup and S. B. Zhang, ¡°Energetics of the As vacancy in GaAs: the stability of the 3+ charge state¡±, Phys. Rev. B 50 (Rapid Comm.), 4962 (1994).
52. C. Y. Yeh, S. B. Zhang and A. Zunger, ¡°Pressure dependence of the band gaps in Si quantum wires¡±, Appl. Phys. Lett. 64, 3545 (1994).
51. S. H. Wei, S. B. Zhang and A. Zunger, ¡°Structural instability in zinc-blende semiconductors¡±, Ferroelectrics, 155, 127 (1994).
50 . C. Y. Yeh, S. B. Zhang, S. Froyen and A. Zunger, ¡°Confinement effects in supported vs. isolated quantum structures: a study of Si(001) films¡±, Superlattices and Microstructures, 14, 141 (1993).
49. C. Y. Yeh, S. B. Zhang and A. Zunger, ¡°Identity of the light-emitting states in porous silicon wires¡±, Appl. Phys. Lett. 63, 3455 (1993).
48. S. B. Zhang, C. Y. Yeh and A. Zunger, ¡°Electronic structure of semiconductor quantum films¡±, Phys. Rev. B 48, 11204 (1993).
47 S. B. Zhang and A. Zunger, ¡°Prediction of unusual electronic properties of Si quantum films¡±, Appl. Phys. Lett. 63, 1399 (1993).
46. S. H. Wei, S. B. Zhang and A. Zunger, ¡°Off-center atomic displacements in zinc-blende semiconductors¡±, Phys. Rev. Lett. 70, 1639 (1993).
45. J. E. Northrup and S. B. Zhang, ¡°Dopant and defect energetics: Si in GaAs¡±, Phys. Rev. B 47 (Rapid Comm.), 6791 (1993).
44 . E. Tarnow and S. B. Zhang, ¡°An insulating overlayer for GaAs¡± in Heteroepitaxy of Dissimilar Materials, edited by R.F.C. Farrow, J.P. Harbison, P.S. Peercy and A. Zangwill, (MRS series, 221, 1991), p. 301.
43. S. B. Zhang and J. E. Northrup, ¡°Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion¡±, Phys. Rev. Lett. 67, 2339 (1991).
42. W. B. Jackson, S. B. Zhang, C. C. Tsai and C. Doland, ¡°Theoretical and experimental investigation of hydrogen bonding configurations in Si¡±, AIP Conf. Proceedings 234, 37 (1991).
41. S. B. Zhang, ¡°Theory of local alloy effects on DX centers¡±, Phys. Rev. B 44 (Rapid Comm.), 3417 (1991).
40. W. B. Jackson and S. B. Zhang, ¡°Hydrogen complexes in hydrogenated silicon¡±, Physica B 170, 197 (1991).
39 S. B. Zhang and W. B. Jackson, ¡°Formation of extended hydrogen complexes in silicon¡±, Phys. Rev. B 43 (Rapid Comm.), 12142 (1991).
38. S. B. Zhang, M. L. Cohen and S. G. Louie, ¡°Chemical shift and zone-folding effects on the energy gaps of GaAs-AlAs (001) superlattices¡±, Phys. Rev. B 43, 9951 (1991).
37 . E. Tarnow and S. B. Zhang, ¡°Heteroepitaxy of I-VII materials on III-V substrates¡±, Appl. Phys. Lett. 58, 2120 (1991).
36. D. J. Chadi and S. B. Zhang, ¡°Atomic structure of DX centers: theory¡±, J. of Electronic Materials, 20, 55 (1991).
35. E. Tarnow, S. B. Zhang, K. J. Chang and D. J. Chadi, ¡°Theory of Be-induced defects in Si¡± in Defects in Materials, edited by P.D. Bristowe, J.E. Epperson, J.E. Griffith and Z. Liliental-Weber, (MRS series, 209, 1990), p. 119.
34. S. B. Zhang and W. B. Jackson, ¡°Theory of hydrogen complexes in silicon¡± in ``Defects in Materials¡±, edited by P.D. Bristowe, J.E. Epperson, J.E. Griffith and Z. Liliental-Weber, (MRS series, 209, 1990), p. 391.
33. E. Tarnow, S. B. Zhang, K. J. Chang and D. J. Chadi, ¡°Theory of Be-induced defects in Si¡±, Phys. Rev. B 42, 11252 (1990).
32. W. B. Jackson and S. B. Zhang, ¡°Hydrogen complexes in amorphous silicon¡±, Chapter in Advances in Disordered Semiconductors, Vol. 3: Transport, Correlation and Structural Defects, edited by H. Fritzsche, (World Scientific, Singapore, 1990), p. 63.
31 . W. B. Jackson and S. B. Zhang, ¡°Metastability in hydrogenated amorphous silicon due to diatomic hydrogen complexes¡±, in Proceedings of the 20th International Conference on the Physics of Semiconductors, Thessaloniki, 1990, edited by E.M. Anastassakis and J.D. Joannopoulos, (World Scientific, Singapore, 1990), p. 2111.
30. S. B. Zhang, ¡°Cation antisite defects and antisite-based-defect complexes in GaAs¡±, Modern Phys. Lett. B 4 1133 (1990).
29. S. B. Zhang, W. B. Jackson and D. J. Chadi, ¡°Diatomic hydrogen-complex dissociation: a microscopic model for metastable defect generation in Si¡±, Phys. Rev. Lett. 65, 2575 (1990).
28. X. Zhu, S. B. Zhang, S. G. Louie and M. L. Cohen, ¡°Reply to Comment on ¡®Quasiparticle interpretation of photoemission spectra and optical properties of GaAs (110)¡¯¡±, Phys. Rev. Lett. 65, 938 (1990).
27. A. Garcia, M. L. Cohen and S. B. Zhang, ¡°Theoretical study of a new transition sequence in III-V compounds: high-pressure phases of InSb¡±, in Atomic Scale Calculations of Structure in Materials, edited by M.S. Daw and M.A. Schluter, (MRS series, 193, 1990), p. 89.
26. D. J. Chadi and S. B. Zhang, ¡°Theory of DX centers in AlxGa1-xAs alloys¡±, in Impurities, Defects and Diffusion in Semiconductors: Bulk and Layered Structures, edited by D.J. Wolford, J. Bernholc and E.E. Haller, (MRS series, 163, 1990), p. 765.
25. S. Saito, S. B. Zhang, S. G. Louie and M. L. Cohen, ¡°New formalism for determining excitation spectra of many-body systems¡±, Phys. Rev. B 42, 7391 (1990).
24. S. B. Zhang and D. J. Chadi, ¡°Stability of DX centers in AlxGa1-xAs alloys¡±, Phys. Rev. B 42, 7174 (1990).
23. S. Saito, S. B. Zhang, S. G. Louie and M. L. Cohen, ¡°Quasiparticle energies in small alkali-metal clusters¡±, J. Phys.: Condens. Matter 2, 9041 (1990).
22. S. B. Zhang, M. L. Cohen, S. G. Louie, D. Tomanek and M. S. Hybertsen, ¡°Quasiparticle band offsets at the (001) interface and band gaps in ultrathin superlattices of GaAs-AlAs¡±, Phys. Rev. B 41, 10058 (1990).
21. S. B. Zhang and D. J. Chadi, ¡°Cation antisite defects and antisite-interstitial complexes in gallium arsenide¡±, Phys. Rev. Lett. 64, 1789 (1990).
20. D. J. Chadi and S. B. Zhang, ¡°Vacancy complexes in GaAs: effects on impurity compensation¡±, Phys. Rev. B 41 (Rapid Comm.), 5444 (1990).
19. S. B. Zhang and D. J. Chadi, ¡°Microscopic structure of hydrogen-shallow-donor complexes in crystalline silicon¡±, Phys. Rev. B 41 (Rapid Comm.), 3882 (1990).
18 . X. Zhu, S. B. Zhang, S. G. Louie and M. L. Cohen, ¡°Quasiparticle interpretation of photoemission spectra and optical properties of GaAs (110)¡±, Phys. Rev. Lett. 63, 2112 (1989).
17 . S. B. Zhang, M. S. Hybertsen, M. L. Cohen, S. G. Louie, and D. Tomanek, ¡°Quasiparticle band gaps for ultrathin GaAs/AlAs (001) superlattices¡±, Phys. Rev. Lett. 63, 1495 (1989).
16. S. Saito, S. B. Zhang, S. G. Louie and M. L. Cohen, ¡°Quasiparticle energies in small metal clusters'', Phys. Rev. B 40, 3643 (1989).
15. S. B. Zhang, D. Tomanek, S. G. Louie, M. L. Cohen and M. S. Hybertsen, ¡°Evaluation of quasiparticle energies for semiconductors without inversion symmetry¡±, Phys. Rev. B 40, 3162 (1989).
14. S. B. Zhang, D. Erskine, M. L. Cohen and P. Y. Yu, ¡°Metallic properties of orthorhombic high pressure phase of GaAs: theory & experiment¡±, Solid State Comm., 71, 369 (1989).
13 S. B. Zhang and M. L. Cohen, ¡°Theory of the structure of high-pressure GaAs II¡±, Phys. Rev. B 39 (Rapid Comm.), 1450 (1989).
12. S. B. Zhang and M. L. Cohen, ¡°Determination of AB crystal structures from atomic properties¡±, Phys. Rev. B 39, 1077 (1989).
11. S. B. Zhang, M. L. Cohen and J. C. Phillips, ¡°Calculation of diatomic crystal bondlengths using atomic s-orbital radii¡±, Phys. Rev. B 38, 12085 (1988).
10. S. B. Zhang, D. Tomanek, S. G. Louie, M. L. Cohen and M. S. Hybertsen, ¡°Quasiparticle calculation of valence band offset of AlAs-GaAs (001)¡±, Solid State Comm., 66, 585 (1988).
9. S. B. Zhang, M. L. Cohen and J. C. Phillips, ¡°Relativistic screened orbital radii¡±, Phys. Rev. B36, 5861 (1987).
8. S. B. Zhang, M. L. Cohen and M. Y. Chou, ¡°Electronic shell structure of simple metal heteroclusters¡±, Phys. Rev. B 36, 3455 (1987).
7. S. B. Zhang and M. L. Cohen, ¡°High-pressure phases of III-V zinc-blende semiconductors¡±, Phys. Rev. B 35, 7604 (1987).
6. S. B. Zhang, M. L. Cohen and S. G. Louie, ¡°Structural and electronic properties of the Al-GaAs (110) interface¡±, Phys. Rev. B 34, 768 (1986).
5. S. B. Zhang and M. L. Cohen, ¡°Surface states on GaAs (110)¡±, Surface Sci. 172, 754 (1986).
4. S. B. Zhang, M. L. Cohen and S. G. Louie, ¡°Interface potential changes and schottky barriers¡±, Phys. Rev. B32, 3955 (1985).
3. S. B. Zhang, M. L. Cohen and J. E. Northrup, ¡°Structure of the Si(111)-2x1 surface with 1/3 ML Ge Coverage¡±, Surface Sci. 157, L303 (1985).
2. S. B. Zhang, J. E. Northrup and M. L. Cohen, ¡°Models for Si(111) surface upon Ge adsorption¡± in The Structure of Surfaces, edited by M.A. Van Hove and S.Y. Tong (Springer Verlag, 1985), p.321.
1. S. B. Zhang, J. E. Northrup and M. L. Cohen, ¡°Ge adsorption on the Si(111) surface¡±, Surface Sci. 145, L465 (1984).

Hight Lights

  • November 8, 2007
    Chemical & Engineering News
    NANOTECHNOLOGY
    Hot-Wiring Hydrogenase With A Carbon Nanotube
    Single-walled nanotube serves as an electrical wire to help harness
    enzyme's catalytic powers

  • July 2005

DoE News

NREL & NIST Start Making Doped Nano-materials With Big H2 Storage Potentials.