Publications

[112]  F. Jia, Z. Tang, G. J. Cruz, W. Gao, S. Xu, W. Ren, and P. Zhang, Quasiparticle and Excitonic Structures of Few-layer and Bulk GaSe: Interlayer Coupling, Self-energy, and Electron-hole Interaction, Phys. Rev. Appl., in press (2024).

[111]  Advancing first-principles dielectric property prediction of complex microwave materials: An elemental-unit decomposition approach, submitted (2024).

[110]  G. J. Cruz, Z. Tang, F. Jia, D. F. Watson, and P. Zhang, Jahn-Teller Defects in Solids: Integrated Infinite-mode Coupling Theory and Applications, submitted (2023).

[109]  Z. Tang, G. J. Cruz, F. Jia, Y. Wu, W. Xia, and P. Zhang, Stacking up Electron-rich and Electron-deficient Monolayers to Achieve Extraordinary Mid- to Far-infrared Excitonic Absorption: Interlayer Excitons in the C₃B/C₃N Bilayer, Phys. Rev. Appl. 19, 044085 (2023).

[108]  F. Zhang, W. Gao, G. J. Cruz, Y.-Y Sun, P. Zhang, and J. Zhao, Giant Excitonic Effects in Vacancy-ordered Double Perovskites, Phys. Rev. B 107, 235119 (2023).

[107]  L. Zhang, T. Su, M. L Li, F. Jia, S. Hu, P. Zhang, and W. Ren, Accurate Band Gap Prediction Based on an Interpretable Δ-Machine Learning, Materials Today Communications, 33, 104630 (2022).

[106]  W. Gao, W. Xia, P. Zhang, J. Chelikowsky, and J. Zhao, Numerical Methods for Efficient GW Calculations of Low-dimensional Materials, Electronic Structure 4, 023003(2022).

[105]  Y. Wu, Z. Tang, G. J. Cruz, Y. Yang, W. Zhang, W. Ren, and P. Zhang, Exploiting the Stereoelectronic Effects for Selective Tuning of Band Edge States of α-SnO: GW Quasiparticle Calculations, Phys. Rev. B 106, 085201(2022).

[104]  Y. Wu, Z. Tang, W. Xia, W. Gao, F. Jia,Y. Zhang, W. Zhu, W. Zhang, and P. Zhang, Prediction of Protected Band Edge States and Dielectric Tunable Quasiparticle and Excitonic Properties of Monolayer MoSi₂N₄, NPJ Comput. Mater. 8, 129 (2022).

[103]  Z. Tang, G. J. Cruz, Y. Wu, W. Xia, F. Jia, W. Zhang, and P. Zhang, Giant Narrow-band Optical Absorption and Distinctive Excitonic Structures of Monolayer C₃N and C₃B, Phys. Rev. Appl. 17, 034068 (2022).

[102]  C. Chen, J. Zeng, Y. Ren, L. Fang, Y. Wu, P. Zhang, T. Hu, J. Wang, Z. Qiao, and W. Ren, In-plane Magnetization and Quantum Anomalous Hall Effect in BiFeO₃/Graphene Superlattice, Appl. Phys. Lett. 120, 084002 (2022).

[101]  G. Lopez-Candales, Z. Tang, G. J. Cruz, W. Xia, F. Jia, and P. Zhang, Quasiparticle Band Structures of 4d Perovskite Oxides SrZrO₃ and BaZrO₃, Phys. Rev. B 104, 195129 (2021).

[100]  Y. Wang, G. Zhao, C. Liu, Y. Li, C. Liu, Y. Wang, X. Kong, P. Zhang, and W. Ren, Size-scaling Behavior of the Electronic and Magnetic Properties of Triangular Graphene Nanoflakes, Low Temp. Phys. Lett. 43, 0115 (2021).

[99]  X. Wu, W. Gao, J. Chai, C. Ming, M. Chen, H. Zeng, P. Zhang, S.B. Zhang, and Y.-Y. Sun, Defect Tolerance in Chalcogenide Perovskite Photovoltaic Material BaZrS₃, Science China Materials 64, 2976 (2021).

[98]  G. Lopez-Candales, Z. Tang, W. Xia, F. Jia, and P. Zhang, Quasiparticle Band Structures of SrTiO₃ and BaTiO₃: A Combined LDA+U and G⁰W⁰ Approach, Phys. Rev. B 103, 035128 (2021).

[97]  M. Ye, S. Hu, Y. Zhu, Y. Zhang, S. Ke, L. Xie, Y. Zhang, S. Hu, D. Zhang, Z. Luo, M. Gu, J. He, P. Zhang, W. Zhang, and L. Chen, Electric Polarization Switching on an Atomically Thin Metallic Oxide, Nano Lett. 21, 144 (2021).

[96]  Y. Liang, A. S. Ahmad, J. Zhao, G. Song, X. Zhou, J. Ji, W. Zhang, Z. Han, J. Liu, K. Stahl, A. Pakhomova, K. Glazyrin, G.-J. Zhang, W. Zhang, Y, Zhao, R. Yu, S. Wang, and P. Zhang, Isosymmetric Phase Transitions, Ultrahigh Ductility and Topological Nodal Lines in α-Ag₂S, Phys. Rev. B: Rapid Communications 102, 140101(R) (2020).

[95]  J. Lai, M. N. Hasan, E. Swinnich, Z. Tang, S. Shin, M. Kim, P. Zhang and J.-H Seo, Flexible Crystalline β-Ga₂O₃ Solar-blind Photodetectors, J. Mater. Chem. C 8, 14732 (2020).

[94]  Y. Wu, W. Xia, Y. Zhang, W. Zhu, W. Zhang, and P. Zhang, Remarkable Band Gap Renormalization via Dimensionality of the Layered Material C₃B, Phys. Rev. Appl. 14, 014073 (2020).

[93]  W. Xia, W. Gao, G. Lopez-Candales, Y. Wu, W. Ren, W. Zhang, and P. Zhang, Combined Sub-sampling and Analytical Integration for Efficient Large-scale GW Calculations for 2D Systems, NPJ Comput. Mater. 6, 118 (2020).

[92]  Simulation of Emission from Solid-density Al Plasma Created by X-ray Free-electron Laser, status? (2020).

[91]  P. Wang, S. Song, A. Najafi, C. Huai, P. Zhang , Y. Hou, S. Huang, and H. Zeng, High Fidelity Transfer of CVD Grown Monolayer WS₂ Assisted by Small Molecules, ACS Nano 14, 7370 (2020).

[90]  H. Xing, P. Zhang, and H. Zeng, Thermoelectric Probe of Defect State Induced by Ionic Liquid Gating in Vanadium Dioxide, Appl. Phys. Lett. 116, 193502 (2020).

[89]  H. Wang, Z. Qiu, W. Xia, C. Ming, Y. Han, L. Cao, J. Lu, P. Zhang, S.B. Zhang, H. Xu, and Y.Y. Sun, Semimetal or Semiconductor: the Nature of High Intrinsic Electrical Conductivity in TiS₂, J. Phys. Chem. Lett. 10, 6996 (2019).

[88]  J. Zhang, M. Deng, Y. Yan, T. Xiao, W. Ren, and P. Zhang, Tunable Type-II BiVO₄/g-C₃N₄ Nano-heterostructures for Photocatalysis Applications, Phys. Rev. Appl. 11, 044052 (2019).

[87]  Y. Zhang, W. Xia, Y. Wu, and P. Zhang, Prediction of MXene Based 2D Tunable Band Gap Semiconductors: GW Quasiparticle Calculations, Nanoscale, 11, 3993 (2019).

[86]  J. Cho, A. Sheng, N. Suwandaratne, L. Wangoh J.L. Andrews, P. Zhang, L. F. J. Piper, D. F. Watson, and S. Banerjee, The Middle Road Less Taken: Electronic-Structure-Inspired Design of Hybrid Photocatalytic Platforms for Solar Fuel Generation, Accounts of Chemical Research 52, 645 (2019).

[85]  Y. Zhang, Z. Zhou, J. Lan, and P. Zhang, Prediction of Ti₃C₂O₂ MXene as an Effective Capturer of Formaldehyde, Applied Surface Science 469, 770 (2019).

[84]  Y. Wu, W. Xia, W. Gao, F. Jia, P. Zhang, and W. Ren, Quasiparticle Electronic Structure of Honeycomb C₃N: from Monolayer to Bulk, 2D Materials 6, 015018 (2019).

[83]  J. L. Andrews, J. Cho, L. Wangoh, N. Suwandaratne, A. Sheng, S. Chauhan, K. Nieto, A. Mohr, K. J. Kadassery, M. R. Popeil, P. K. Thakur, M. Sfeir, D. C. Lacy, T.-L. Lee, P. Zhang, D. F. Watson, L. F. J. Piper, and S. Banerjee, Hole Extraction by Design in Photocatalytic Architectures Interfacing CdSe Quantum Dots with Topochemically Stabilized Tin Vanadium Oxide, JACS 140, 17163 (2018).

[82]  C. Li, P. Zhang, J. Wang, G. Zhou, and J. Boscoboinik, Tuning the Deoxygenation of Bulk-Dissolved Oxygen in Copper, J. Phys. Chem. C 122, 8254 (2018).

[81]  W. Gao, W. Xia, Y. Wu, W. Ren, X. Gao, and P. Zhang, Quasiparticle Band Structures of CuCl, CuBr, AgCl, and AgBr: The Extreme Case, Phys. Rev. B 98, 045108 (2018).

[80]  Y. Zhang, Z. Zhou, J. Lan, C. Ge, Z. Chai, P. Zhang, and W. Shi, Theoretical Insight into the Uranyl Adsorption Behavior on Vanadium Carbide MXene, Appl. Surf. Sci. 426, 572 (2017).

[79]  Y. Wu, W. Xia, W. Gao, W. Ren, and P. Zhang, Engineering the Near-edge Electronic States of Layered Structure SnSe Through Strains, Phys. Rev. Appl. 8, 034007 (2017). (Editors' Suggestion)

[78]  Y. Lu, T. Sun, Ping Zhang, P. Zhang, D.-B. Zhang, and R. M. Wentzcovitch, Premelting HCP to BCC Transition in Beryllium, Phys. Rev. Lett. 118, 145702 (2017).

[77]  H. He, H. Gao, W. Wu, S. Cao, J. Hong, D. Yu, G. Deng, Y. Gao, P. Zhang, H. Luo, and W. Ren, Phonon Instability and Pressure-induced Isostructural Semiconductor-semimetal Transition of Monoclinic VO₂, Phys. Rev. B 94, 205127 (2016).

[76]  W. Gao, W. Xia, X. Gao, and P. Zhang, Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions, Scientific Reports 6, 36849 (2016).

[75]  X. Gao, L. Chen, R. Valencia, W. Xia, W. Gao, X. Han, J. Li, and P. Zhang, Ab Initio Study of Thermodynamically Consistent Equation of State of Warm Dense Aluminum Plasma, Phys. Plasmas 23, 092710 (2016).

[74]  Y. Yan, G. Zhang, C. Wang, C. Peng, P. Zhang, Y. Wang, W. Ren, Optimizing Dopant and Carrier Concentrations of Ca₅Al₂Sb₆ for High Thermoelectric Efficiency, Scientific Reports 6, 29550 (2016).

[73]  R. Zhang, T. A. Abtew, N. Quackenbush, L. Wangoh, M. Huie, A. Brady, D. Bock, H. Efstathiadis, M. Whittingham, A. Marschilok, K. Takeuchi, E. Takeuchi, P. Zhang, and L. Piper, Electrode Reaction Mechanism of Ag₂VO₂PO₄ Cathode, Chem. Mater. 28, 3428 (2016).

[72]  Y. Zhang, Y. Wang, J. Zhang, L. Xi, P. Zhang, and W. Zhang Pinning Down High-performance Cu-chalcogenides as Thin-film Solar Cell Absorbers: A successive screening approach, J. Chem. Phys. 144, 194706 (2016).

[71]  S. Singh, T. A. Abtew, G. Horrocks, P. M. Marley, A. A. Stabile, S. Banerjee, P. Zhang, and G. Sambandamurthy, Selective Electrochemical Reactivity of Rutile VO₂ Towards the Suppression of Metal-insulator Sransition , Phys. Rev. B 93, 125132 (2016).

[70]  W. Gao, T. Cai, T. A. Abtew, Y. Y. Sun, S. B. Zhang, and P. Zhang, On the Applicability of Hybrid Functionals for Predicting Fundamental Properties of Metals, Solid State Communications 234-235, 10 (2016).

[69]  W. Gao, X. Gao, T. A. Abtew, Y.-Y Sun, S.B. Zhang, and P. Zhang, Quasiparticle Band Gap of Organic-inorganic Hybrid Perovskites: Crystal Structure, Spin-orbit Coupling, and Self-energy Effects, Phys. Rev. B 93, 085202 (2016).

[68]  Y. Liang, Z. Wu, X. Yuan, W. Zhang and P. Zhang, Discovery of Elusive Structures of Multifunctional Transition-Metal Borides, Nanoscale 8, 1055 (2016).

[67]  Y.-Y. Sun, J. Shi, J. Lian, W. Gao, M. L. Agiorgousis, P. Zhang, and S. Zhang, Discovering Lead-Free Perovskite Solar Materials with Split-Anion Approach, Nanoscale 8, 6284 (2016).

[66]  Y. Zhang, L. Xi, Y. Wang, J. Zhang, P. Zhang, and W. Zhang, Electronic Properties of Energy Harvesting Cu-chalcogenides: pd Hybridization and d-electron Localization, Computational Materials Science 108, 239 (2015).

[65]  Y. Wang, Y. Zhang, P. Zhang and W. Zhang, High Intrinsic Carrier Mobility and Photon Absorption in Perovskite CH₃NH₃PbI₃, Phys. Chem. Chem. Phys. 17, 11516 (2015).

[64]  G. Wang, M. Zhang, S. Liu, X. Xie, G. Ding, Y. Wang, P. Chu, H. Gao, W. Ren, Q. Yuan, P. Zhang, X. Wang, Z. Di, Synthesis of Layer-tunable Graphene: A Combined Kinetic Implantation and Thermal Ejection Approach, Advanced Functional Materials, DOI: 10.1002/adfm.201500981 (2015).

[63]  P. M. Marley, T. A. Abtew, K. E. Farley, G. A. Horrocks, R. V. Dennis, P. Zhang, and S. Banerjee, Emptying and Filling a Tunnel Bronze, Chem. Sci. 6, 1712 (2015).

[62]  Y. Sun, M. Agiorgousis, P. Zhang, and S. Zhang, Chalcogenide Perovskites for Photovoltaics, Nano Lett. 15, 581 (2015).

[61]  J. Zhang, J. Cao , X. Chen, J. Ding, P. Zhang, and W. Ren, Diamond Nanowires with Nitrogen-Vacancy under a Transverse Electric Field, Phys. Rev. B 91, 045417 (2015).

[60]  Y. Liang, X. Yuan, Y. Gao, W. Zhang, and P. Zhang, Phonon Assisted Cross-over from Nonmagnetic Peierls Insulator to Magnetic Stoner Metal, Phys. Rev. Lett. 113, 176401 (2014).

[59]  Y. Y. Sun, T. A. Abtew, P. Zhang, and S. B. Zhang, Anisotropic Polaron Localization and Spontaneous Symmetry Breaking: Comparison of Cation-Site Acceptors in GaN and ZnO , Phys. Rev. B 90, 165301 (2014).

[58]  T. A. Abtew, W. Gao, X. Gao, Y. Y. Sun, S. B. Zhang, and P. Zhang, Theory of Oxygen-Boron Vacancy Defect in Cubic Boron Nitride: A Diamond NV^- Isoelectronic Center, Phys. Rev. Lett. 113, 136401 (2014).

[57]  P. Marley, S. Singh, T. A. Abtew, C. Jaye, D. A. Fischer, P. Zhang, G. Sambandamurthy, S. Banerjee, Electronic Phase Transitions of δ-Ag_xV₂O₅ Nanowires: The Interplay between Geometric and Electronic Structure, J. Phys. Chem. C 118, 21235 (2014).

[56]  Y. Zhang, Y. Wang, L. Xi, R. Qui, X. Shi, P. Zhang, and W. Zhang, Electronic Structure of Antifluorite Cu₂X (X = S, Se, Te) within the Modified Becke-Johnson Potential Plus an On-site Coulomb U, J. Chem. Phys. 140 , 074702 (2014).

[55]  Y. Zhang, J. Zhang, W. Gao, T. A. Abtew, Y. Wang, P. Zhang, and W. Zhang, Near-edge Band Structures and Band Gaps of Cu-based Semiconductors Predicted by the Modified Becke-Johnson Potential Plus an on-site Coulomb U, J. Chem. Phys. 139 , 184706 (2013).

[54]  X. Yuan, W. Zhang, and P. Zhang, Hole-lattice Coupling and Photo-induced Insulator-metal Transition in VO₂, Phys. Rev. B 88, 035119 (2013).

[53]  J. Bang, Y. Y. Sun, T. A. Abtew, P. Zhang, and S. B. Zhang, Difficulty in Predicting Shallow Defects with Hybrid Functionals: Implication of the Long-range Exchange Interaction, Phys. Rev. B 88, 035134 (2013).

[52]  T. A. Abtew, B.-C. Shih, S. Banerjee, and P. Zhang, Graphene-ferromagnet: Hybridization, Magnetization and Charge Transfer, Nanoscale 5, 1902 (2013).

[51]  X. Yuan, Y. Zhang, T. A. Abtew, P. Zhang, and W. Zhang, VO₂: Obital competition, Magnetism, and Phase Stability, Phys. Rev. B 86, 235103 (2012).

[50]  B.-C. Shih, T. A. Abtew, X. Yuan, W. Zhang, and P. Zhang, Screened Coulomb Interactions of Localized Electrons in Transition Metals and Transition-metal Oxides, Phys. Rev. B 86, 165124 (2012).

[49]  P. M. Marley, A. A. Stabile, C. P. Kwan, S. Singh, P. Zhang, G. Sambandamurthy, and S. Banerjee, Charge Disproportionation and Voltage-induced Metal-insulator Transitions Evidenced in &beta -Pb_xV₂O₅ Nanowires, Adv. Funct. Mater. 23, 153 (2013). DOI: 10.1002/adfm.201201513

[48]  G. Long, B. Barman, S. Delikanli, Y. T. Tsai, P. Zhang, A. Petrou, and H. Zeng, Carrier-Dopant Exchange Interactions in Mn-doped PbS Colloidal Quantum Dots, Appl. Phys. Lett., 101, 062410 (2012).

[47]  Y. Zhang, X. Sun, P. Zhang, X. Xuan, F. Huang, and W. Zhang, Structural Properties and Quasiparticle Band Structure of Cu-based Quaternary Semiconductors for Photovoltaic Applications, J. Appl. Phys. 111, 063709 (2012).

[46]  B.-C. Shih, Y. Zhang, W. Zhang, and P. Zhang, Screened Coulomb Interaction of Localized Electrons in Solids from First-principles, Phys. Rev. B 85, 045132 (2012).

[45]  T. A. Abtew, Y.Y. Sun, B.-C. Shih, P. Dev, S.B. Zhang, and P. Zhang, Dynamic Jahn-Teller Effects in the NV^- Center in Diamond, Phys. Rev. Lett. 107, 146403 (2011).

[44]  T. A. Abtew and P. Zhang, Charging assisted Hydrogen Release Mechanism in Layered Boron Hydride, Phys. Rev. B 84, 094303 (2011).

[43]  C. Patridge, C. Jaye, T. A. Abtew, B. Ravel, D. A. Fisher. A. C. Marschilok, P. Zhang, K. J. Takeuchi, E. Takeuchi, and S. Banerjee , An X-ray Absorption Spectroscopy Study of the Cathodic Discharge of Ag₂VO₂PO₄: Geometric and Electronic Structure Characterization of Intermediate Phases and Mechanistic Insights, J. Phys. Chem. C 115, 14437 (2011).

[42]  Y. Zhang, X. Yuan, X. Sun, B-C. Shih, P. Zhang, and W. Zhang, Comparative Study of Structural and Electronic Properties of Cu-based Multinary Semiconductors, Phys. Rev. B 84, 075127 (2011).

[41]  X. Wang, R. Yang, Y. Zhang, P. Zhang, and Y. Xue, Rare-earth Chalcogenide Ce₃Te₄ as High Efficiency High Temperature Thermoelectric Material, Appl. Phys. Lett. 98, 222110 (2011).

[40]  T. A. Abtew, B.-C. Shih, P. Dev, V. H. Crespi, and P. Zhang, Prediction of a Multi-center Bonded Solid Boron Hydride for Hydrogen Storage, Phys. Rev. B 83, 094108 (2011).

[39]  P. Dev, H. Zeng, and P. Zhang, Defect Induced Magnetism in Nitride and Oxide Nanowires: Surface Effects and Quantum Confinement, Phys. Rev. B 82, 165319 (2010).

[38]  B. Shih, Y. Xue, M. L. Cohen, S. G. Louie, and P. Zhang, Quasiparticle Band Gap of ZnO: High Accuracy from Conventional GW Approach, Phys. Rev. Lett. 105, 146401 (2010).

[37]  P. Dev and P. Zhang, Unconventional Magnetism in Semiconductors: Role of Localized Acceptor States, Phys. Rev. B 81, 085207 (2010).

[36]  R. E. Tallman, G. Lindberg, B. Shih, P. Zhang, B. A. Weinstein, R. Lauck, and M. Cardona, Anomalous Pressure Behavior of ZnSe Raman Spectrum, High Pressure Research 29, 476 (2009).

[35]  Y. Xue, Y. Zhang, and P. Zhang, Theory of the Color Change of Na_xWO₃ as a Function of Na-charge Doping, Phys. Rev. B 79, 205113 (2009).

[34]  F. Zhang, V. H. Crespi, and P. Zhang, Prediction that Uniaxial Tension along <111> Direction Produces a Direct Band Gap in Germanium, Phys. Rev. Lett. 102, 156401 (2009).

[33]  S. Delikanli, S. He, Y. Qin, P. Zhang, H. Zeng, H. Zhang, and M. Swihart, Room Temperature Ferromagnetism in Mn-doped CdS Nanorods, Appl. Phys. Lett. 93, 132501 (2008).

[32]  P. Zhang, Y. Xue, and P. Dev, Electron Phonon Renormalization and Phonon Anharmonicity in Metals, Solid State Communications 148, 151 (2008).

[31]  E. Kioupakis, P. Zhang, M. L. Cohen, and S. G. Louie, GW Quasiparticle Corrections to the LDA+U/GGA+U Electronic Structure of bcc Hydrogen, Phys. Rev. B 77, 155114 (2008).

[30]  P. Dev, Y. Xue, and P. Zhang, Defect-induced Intrinsic Magnetism in Wide-gap III-nitrides, Phys. Rev. Lett. 100, 117204 (2008).

[29]  P. Zhang, S. Saito, S. G. Louie, and M. L. Cohen, Theory of the Electronic Structure of Alternating MgB₂ and Graphene Layered Structures, Phys. Rev. B 77, 052501 (2008).

[28]  W. Luo, P. Zhang, and M. L. Cohen, Splitting of Zone Center Transverse Optical Phonon in MnO and NiO, Solid State Communications 142, 504 (2007).

[27]  P. Zhang, S. G. Louie, and M. L. Cohen, Electron-phonon Renormalization in Cuprates, Phys. Rev. Lett. 98, 067005 (2007).

[26]  K. T. Chan, J. D Sau, P. Zhang, and M. L. Cohen, Ab initio Calculation of Phonon Splitting in Antiferromagnetic ZnCr₂O₄, Phys. Rev. B 75, 054304 (2007).

[25]  T. Miyake, P. Zhang, M. L. Cohen, and S. G. Louie, Quasiparticle Energy of Semicore d-electrons in ZnS: Combined LDA+U and GW Approach, Phys. Rev. B, 74, 245213 (2006).

[24]  P. Zhang, S. G. Louie, and M. L. Cohen, Nonlocal Screening, Electron-phonon Coupling, and Phonon Renormalization in Metals, Phys. Rev. Lett., 94, 225502, (2005).

[23]  P. Zhang, R. B. Capaz, M. L. Cohen, and S. G. Louie, Theory of Na Ordering in Na_xCoO₂, Phys. Rev. B 71, 153102 (2005)

[22]  P. Zhang, W. Luo, S. G. Louie, and M. L. Cohen, Fermi Surface of Na_xCoO₂, Phys. Rev. Lett. 93, 236402 (2004).

[21]  P. Zhang, W. Luo, V. H. Crespi, M. L. Cohen, and S. G. Louie, Doping Effects on the Electronic and Structural Properties of CoO₂: An LSDA+U Study, Phys. Rev. B 70, 085108 (2004).

[20]  D. Stojkovic, P. Zhang, P. E. Lammert, and V. H. Crespi, Collective Stabilization of Hydrogen Chemisorption on Graphenic Surfaces, Phys. Rev. B 68, 195406 (2003).

[19]  B. Pradhan, A. Harutyunyan, D. Stojkovic, J. Grossman, P. Zhang, M. Cole, V. H. Crespi, H Goto, J. Fujiwara, and P. Eklund, Large Cryogenic Storage of Hydrogen in Carbon Nanotubes at Low Pressures, J. Mater. Res., 17, 2209 (2002).

[18]  P. Zhang and V. H. Crespi, Theory of B₂O and BeB₂ Nanotubes: New Semiconductors and Metals in One Dimension, Phys. Rev. Lett. 89, 56403 (2002).

[17]  P. Zhang and V. H. Crespi, Theory of Metastable Group-IV Alloys Formed from CVD Precursors, Phys. Rev. B 64, 235201 (2001).

[16]  P. Zhang, V. H. Crespi, E. Chang, S. G. Louie, and M. L. Cohen, Computational Design of Direct Bandgap Semiconductors that Lattice-match Silicon, Nature 409, 69 (2001).

[15]  D. Stojkovic, P. Zhang, and V. H. Crespi, Smallest Nanotube: Breaking the Symmetry of sp3 Bonds in Tubular Geometries, Phys. Rev. Lett. 87, 125502 (2001).

[14]  P. Zhang and V. H. Crespi, Plastic Deformation of Boron Nitride Nanotubes: An Unexpected Weakness, Phys. Rev. B. 62, 11050 (2000).

[13]  P. E. Lammert, P. Zhang and V. H. Crespi, Gapping by Squashing: Metal-insulator Transitions in Collapsed Carbon Nanotubes, Phys. Rev. Lett. 84, 2453 (2000).

[12]  P. Zhang and V. H. Crespi, Nucleation of Carbon Nanotubes without Pentagonal Rings, Phys. Rev. Lett. 83, 1791 (1999).

[11]  P. Zhang, P. E. Lammert, and V. H. Crespi, Plastic Deformations of Carbon Nanotubes, Phys. Rev. Lett. 81, 5346 (1998).

[10]  J.-M. Li, P. Zhang, Y. Yang, and L. Liu, Theoretical Study of Adatom Self-diffusion on Metallic fcc{001} Surfaces, Chinese Phys. Lett. 14, 768 (1997).

[9]  J.-M. Li, Lan Vo Ky, Y.-Z. Qu, J. Yan, P. Zhang, H.-L. Zhou, and P. Faucher, Eigenchannel Treatment of R-matrix Theory, Phys. Rev. A 55, 3329 (1997).

[8]  Y. Zhang, P. Zhang, and J.-M. Li, Near-threshold Structure in Inner-shell Photo-absorption Process of N₂ and CO, Phys. Rev. A 56, 1819 (1997).

[7]  P. Zhang and J.-M. Li, Geometry and Electronic Structure of Na₃, Acta Phys. Sin. 46, 870 (1997).

[6]  P. Zhang and J.-M Li, Theoretical Studies of Electronic Excited States for Na₃, Phys. Rev. A 54, 665 (1996).

[5]  J. Yan, P. Zhang, and J.-M Li, Theoretical Studies of the Fine-structure Inversion in the nf Rydberg States of Alkali Atoms, Acta phys. Sin. 45, 1978 (1996).

[4] V. H. Crespi, P. Zhang, P. E. Lammert, New Quantum Structures in Quantum Computing and Quantum Bits in Mesoscopic Systems, Springer, 87-94 (2004).

[3] D. C. Allan, N. F. Boreelli, M. R. Gallagher, D. Muller, C. M. Smith,N. Venkatarman, J. A. West, P. Zhang, and K. W. Koch, Surface Modes and Loss in Air-core Photonic Band-gap Fibers, Proc. SPIE Int. Soc. Opt. Eng. 5000, 161 (2003).

[2] P. Eklund, B. K. Pradhan, A. Harutyunyan, M. W. Cole, D. Stojkovic, J. C. Grossman, P. Zhang, V. H. Crespi, H. Goto and J. Fujiwara, Large Storage of Hydrogen in SWNT's at Low Temperature and Pressure, MRS Symposium Process Series: Making functional Materials with Nanotubes, (2002). 

[1] S. R. Bickham, P. Diep S. Challa, P. Hajcak, M. B. Cain, G. G. Luther, J. Koh, M. Murtagh, P. Zhang, P. Tandon, and C.Tennent, Ultra-wide band fiber pairs with accurate slope compensation over an extended wavelength range, Proc. ECOC, Copenhagen, Denmark, Sep. 8–12, 2002, vol. 2, 5.1.4.

[0] V. H. Crespi, P. Zhang and P. E. Lammert, Sliding, stretching, and Tapering: Recent Structural Results for Carbon Nanotubes, Electronic Properties of Novel Materials---Science and Technology of Molecular Nanostructures, XII International Winter School, Kircgberg, Tirol, Austria, 1999 (American Institute of Physics) 364-370.