PUBLICATIONS

A more detailed list of our publications can be obtained here

[]
2014 download
[1]Intrinsic insulating ferromagnetism in manganese oxide thin films
Y. S. Hou, H. J. Xiang,* and X. G. Gong+
Phys. Rev. B
DOI: 10.1103/PhysRevB.89.064415
PDF
[2]Inverse design of materials by multi-objective differential evolution
Yue-Yu Zhang, Weiguo Gao, Shiyou Chen, Hongjun Xiang, Xin-Gao Gong*
Computational Materials Science
DOI: 10.1016/j.commatsci.2014.10.054
PDF
[3]Valley and band structure engineering of folded MoS2bilayers
Tao Jiang,Hengrui Liu,DiHuang, Shuai Zhang, Yingguo Li, Xingao Gong*,Yuen-Ron Shen, Wei-Tao Liu*,and Shiwei Wu*
Nature Nanotechnology
DOI: 10.1038/nnano.2014.176
PDF
[4]Solar-Driven Photoelectrochemical Probing of Nanodot/Nanowire/ Cell Interface
J Tang, Y Zhang,B Kong, Y Wang, P Da, J Li, A A Elzatahry, D Zhang, X Gong, G Zheng (2014)
Nano Letters
DOI: 10.1021/nl500608w
PDF
[5]What are grain boundary structures in graphene?
Z L Li, Z M Li, H Y Cao, J H Yang, Q Shu, Y Y Zhang, H J Xiang, X G Gong (2014)
Nanoscale
DOI: 10.1039/c3nr06823d
PDF
[6]Predicting New TiO2 Phases with Low Band Gaps by a Multiobjective Global Optimization Approach
Chen, H. Z., Zhang, Y. Y., Gong, X., & Xiang, H. (2014)
The Journal of Physical Chemistry C
DOI: 10.1021/jp411437f
PDF
[7]Interfacial effects on the spin density wave in FeSe/SrTiO thin films
HY Cao, S Tan, H Xiang, DL Feng, XG Gong
Physical Review B
DOI: 10.1103/PhysRevB.89.014501
PDF
[8]First-principles study on the electronic andoptical properties of cubic ABX3 halide perovskites
L Lang, J H Yang, H R Liu, H J Xiang, X G Gong (2014)
Physics Letters A
DOI: 10.1016/j.physleta.2013.11.018
PDF

2013 download
[1]Simultaneous Etching and Doping of TiO2 Nanowire Arrays for Enhanced Photoelectrochemical Performance
Yongcheng Wang, Yue-Yu Zhang, Jing Tang, Haoyu Wu, Ming Xu, Zheng Peng, Xin-Gao Gong, and Gengfeng Zheng
ACS Nano
DOI: 10.1021/nn4040876
PDF
[2]Self-Assembled Water Molecules as a Functional Valve for a High-Pressure Nanocontainer
H. Y. Chen1, D. Y. Sun1, X. G. Gong and Zhi-Feng Liu
Angew Chem Int Ed
DOI: 10.1002/anie.201207463
PDF
[3]Classification of Lattice Defects in the Kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 Earth-Abundant Solar Cell Absorbers
Shiyou Chen,Aron Walsh,Xin-gao Gong, and Su-Huai Wei
Advanced Materials
DOI: 10.1002/adma.201203146
PDF
[4]Composition- and Band-Gap-Tunable Synthesis of Wurtzite-Derived Cu2ZnSn(S1xSex)4 Nanocrystals: Theoretical and Experimental Insights
Feng-Jia Fan,Liang Wu,Ming Gong,Guangyao Liu,Yi-Xiu Wang,Shu-Hong Yu,Shiyou Chen,Lin-Wang Wang,and Xin-Gao Gong
ACS Nano
DOI: 10.1021/nn3052296
PDF
[5]Magnetic properties and energy-mapping analysis
Hongjun Xiang,Changhoon Lee,Hyun-Joo Koo,Xingao Gong and Myung-Hwan Whangbo
Dalton Transactions
DOI: 10.1039/c2dt31662e
PDF
[6]Stability and electronic structure of Cu2ZnSnS4 surfaces: First-principles study
Peng Xu (2013)
PHYSICAL REVIEW B
DOI: 10.1103/PhysRevB.88.045427
PDF
[7]Prediction of a multiferroic state with large electric polarization in tensile-strained TbMnO3
YS Hou, JH Yang, XG Gong, HJ Xiang
PHYSICAL REVIEW B
DOI: 10.1103/PhysRevB.88.060406
PDF
[8]Unified model of ferroelectricity induced by spin order
HJ Xiang, PS Wang, MH Whangbo, XG Gong
Phys. Rev. B
DOI: 10.1103/PhysRevB.88.054404
PDF
[9]Self-stopping effects of lithium penetration into silicon nanowires
L Lang, C Dong, G Chen, J Yang, X Gu, H Xiang, R Wu…
Nanoscale
DOI: 10.1039/C3NR03301E
PDF
[10]High Temperature Ferromagnetic-Ferroelectric Multiferroicity in Strained BiMnO3
X. Z. Lu,X. G. Gong,H. J. Xiang
Materials Science
PDF
[11]Cu2Zn(Sn,Ge)Se4 and Cu2 Zn(Sn,Si)Se4 alloys as photovoltaic materials:Structural and electronic properties
Qiang Shu, Ji-Hui Yang, Shiyou Chen, Bing Huang, Hongjun Xiang, Xin-Gao Gong, and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 10.1103/PhysRevB.87.115208
PDF
[12]Proton-Induced Dysfunction Mechanism of Cathodes in an Aqueous Lithium Ion Battery
Qiang Shu, Long Chen, Yongyao Xia, Xingao Gong, and Xiao Gu
The Journal of Physical Chemistry C
DOI: 10.1021/jp311270s
PDF
[13]Origin of the superior conductivity of perovskite Ba(Sr)SnO3
Heng-Rui Liu,Ji-Hui Yang,H. J. Xiang,X.G.Gong,and Su-Huai Wei
Appl. Phys. Lett
DOI: 10.1063/1.4798325
PDF
[14]Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach
HJ Xiang,B Huang,E Kan,SH Wei,XG Gong
Physical Review Letters
DOI: 10.1103/PhysRevLett.110.118702
PDF

2012 download
[1]Prediction of (TiO2)x(Cu2O)y alloys for efficient photoelectrochemical water splitting
Heng-Rui Liu,Ji-Hui Yang,Yue-Yu Zhang,Shiyou Chen,Aron Walsh,Hongjun Xiang,Xingao Gong and Su-Huai Wei
Phys. Chem. Chem. Phys.
DOI: 10.1039/c2cp44484d
PDF
[2]First-principles study on the effective masses of zinc-blend-derived Cu2 Zn2IV2VI4 (IV 5 Sn,Ge,Si and VI 5 S,Se)
Heng-Rui Liu,Shiyou Chen,Ying-Teng Zhai,H. J. Xiang,X. G. Gong,and Su-Huai Wei
JOURNAL OF APPLIED PHYSICS
DOI: 112,093717
PDF
[3]Magnetic properties and energy-mapping analysis
Hongjun Xiang,Changhoon Lee,Hyun-Joo Koo,Xingao Gong and Myung-Hwan Whangbo
Dalton Transactions
DOI: 10.1039/c2dt31662e
PDF
[4]Helicoidal magnetic structure and ferroelectric polarization in Cu3Nb2O8
Z. L. Li,M.-H. Whangbo,X. G. Gong,and H. J. Xiang
PHYSICS REVIEW B
DOI: 86 174401
PDF
[5]Unexpected large thermal rectification in asymmetric grain boundary of graphene
Hai-Yuan Cao,Hongjun Xiang,Xin-Gao Gong
Solid State Communications
DOI: Volume 152,Issue 19,October 2012,Pages 1807-1810
PDF
[6]Size-dependent melting behavior of iron nanoparticles by replica exchange molecular dynamics.
Shu,Qiang; Yang,Yang; Zhai,Ying-Teng; Sun,D Y; Xiang,H J; Gong,X G
Nanoscale
DOI: 4 6307-11
PDF
[7]Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3
J. H. Yang,Z. L. Li,X. Z. Lu,M.-H. Whangbo,Su-Huai Wei,X. G. Gong,and H. J. Xiang
PHYSICAL REVIEW LETTERS
DOI: 109 107203
PDF
[8]Si3AlP:A New Promising Material for Solar Cell Absorber
Yang,JH; Zhai,YT; Liu,HR; Xiang,HJ; Gong,XG; Wei,SH
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DOI: 13412653-12657
PDF
[9]Strain effect on the diffusion of interstitial Mn in GaAs
Wang,ZT; Chen,SY; Duan,XM; Wei,SH; Sun,DY; Gong,XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 24 215801
PDF
[10]Giant Ferroelectric Polarization of CaMn7O12 Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction
Lu,XZ; Whangbo,MH; Dong,S; Gong,XG; Xiang,HJ
PHYSICAL REVIEW LETTERS
DOI: 85 054426
PDF
[11]Kesterite Thin-Film Solar Cells:Advances in Materials Modelling of Cu2ZnSnS4
Walsh,A; Chen,SY; Wei,SH; Gong,XG
ADVANCED ENERGY MATERIALS
DOI: 24 2305-2309
PDF
[12]An Optimized Ultraviolet-A Light Photodetector with Wide-Range Photoresponse Based on ZnS/ZnO Biaxial Nanobelt
Linfeng Hu,Jian Yan,Meiyong Liao,Hongjun Xiang,Xingao Gong,Lide Zhang,Xiaosheng Fang
Advanced Materials
DOI: 2 400-409
PDF
[13]Effective Control of the Charge and Magnetic States of Transition-Metal Atoms on Single-Layer Boron Nitride
Bing Huang,Hongjun Xiang,Jaejun Yu,and Su-Huai Wei
PHYSICAL REVIEW LETTERS
DOI: 108 206802
PDF
[14]Strong single-ion anisotropy and anisotropic interactions of magnetic adatoms induced by topological surface states
Z. L. Li,J. H. Yang,G. H. Chen,M.-H. Whangbo,H. J. Xiang,and X. G. Gong
PHYSICS REVIEW B
DOI: 108 187204
PDF
[15]Ordered Semiconducting Nitrogen-Graphene Alloys
H. J. Xiang,B. Huang,Z.Y. Li,S.-H. Wei,J. L. Yang,and X.G. Gong
PHYSICAL REVIEW X
DOI: 2 011003
PDF
[16]Layer and size dependence of thermal conductivity in multilayer graphene nanoribbons
Hai-Yuan Cao,Zhi-Xin Guo,Hongjun Xiang,Xin-GaoGong
PHYSICS LETTERS A
DOI: 376(4) pp:525-528
PDF

2011 download
[1]Predicting the spin-lattice order of frustrated systems from first principles
H. J. Xiang,E. J. Kan,Su-Huai Wei,M.-H. Whangbo,and X. G. Gong
PHYSICAL REVIEW B
DOI: 84 224429
PDF
[2]First principles study of adsorption of O(2) on Al surface with hybrid functionals
Liu Heng-Rui; Xiang Hongjun; Gong X. G.
JOURNAL OF CHEMICAL PHYSICS
DOI: 135 214702
PDF
[3]Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method
Xinyu Luo,Jihui Yang,Hanyu Liu,Xiaojun Wu,Yanchao Wang,Yanming Ma,Su-Huai Wei,Xingao Gong,and Hongjun Xiang
J. Am. Chem. Soc.
DOI: 133(40),pp:16285-16290
PDF
[4]General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order
H. J. Xiang,E. J. Kan,Y. Zhang,M.-H. Whangbo,and X.G. Gong
PHYSICAL REVIEW LETTERS
DOI: 105 157202
PDF
[5]Structural diversity and electronic properties of Cu(2)SnX(3) (X = S,Se):A first-principles investigation
Ying-Teng Zhai,Shiyou Chen,Ji-Hui Yang,Hong-Jun Xiang,Xin-Gao Gong,Aron Walsh,
PHYSICAL REVIEW B
DOI: 84 075213
PDF
[6]Manipulating thermal conductivity through substrate coupling
Guo Zhi-Xin,Zhang Dier,Gong Xin-Gao
PHYSICAL REVIEW B
DOI: 84 075470
PDF
[7]Electronic localization of quantum-well states in Ag/Au(111) metallic heterostructures
F. Forster,E. Gergert,A. Nuber,H. Bentmann,Li Huang,X. G. Gong,Z. Zhang,and F. Reinert
PHYSICAL REVIEW B
DOI: 84 075412
PDF
[8]Dynamical Coupling Atomistic and Continuum Simulations
Guowu Ren,Dier Zhang and Xin-Gao Gong
Communications in Computational Physics
PDF
[9]First-Principles Study of H(+) Intercalation in Layer-Structured LiCoO(2)
Xiao Gu,Jin-long Liu,Ji-hui Yang,Hong-jun Xiang,Xin-gao Gong,and Yong-yao Xia
Communications in Computational Physics
PDF
[10]Band structure engineering of multinary chalcogenide topological insulators
Shiyou Chen,X. G. Gong,Chun-Gang Duan,Zi-Qiang Zhu,Jun-Hao Chu,Aron Walsh,Yu-Gui Yao,Jie Ma,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 83 245202
PDF
[11]First-principles study of defect properties of zinc blende MgTe
Ji-Hui Yang,Shiyou Chen,Hongjun Xiang,X. G. Gong,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 83 235208
PDF
[12]Understanding periodically twinned structure in nano-wires
Ying-Teng Zhai and Xin-Gao Gong
PHYSICS LETTERS A
DOI: 375 1889
PDF
[13]Single-ion anisotropy,Dzyaloshinskii-Moriya interaction,and negative magnetoresistance the spin-1/2 pyrochlore R2V2O7
H. J. Xiang,E. J. Kan,M.-H. Whangbo,C. Lee,Su-Huai Wei,and X. G. Gong
PHYSICAL REVIEW B
DOI: 83 174402
PDF
[14]Finite Temperature Properties of Clusters by Replica Exchange Metadynamics:The Water Nonamer
Zhai Yingteng,Alessandro Laio,Erio Tosatti,and Gong Xin-Gao
J. Am. Chem. Soc.
DOI: 133 (8) pp 2535\A8C2540
PDF
[15]Compositional dependence of structural and electronic properties of Cu2ZnSn(S,Se)4 alloysfor thin film solar cells
Shiyou Chen,Aron Walsh,Ji-Hui Yang,X. G. Gong,Lin Sun,Ping-Xiong Yang,Jun-Hao Chu,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 83 125201
PDF

2010 download
[1]Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors
Shiyou Chen,Aron Walsh,Ye Luo,Ji-Hui Yang,X. G. Gong,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 82 195203
PDF
[2]Thermodynamically stable single-side hydrogenated graphene
H. J. Xiang,E. J. Kan,Su-Huai Wei,X. G. Gong,and M.-H. Whangbo
PHYSICAL REVIEW B
DOI: 82 165425
PDF
[3]hcp metal nanoclusters with hexagonal A-A bilayer stacking stabilized by enhanced covalent bonding
S. F. Li,Haisheng Li,Xinlian Xue,Yu Jia,Z. X. Guo,Zhenyu Zhang,and X. G. Gong
PHYSICAL REVIEW B
DOI: 82 035443
PDF
[4]Structural motifs in oxidized graphene:A genetic algorithm study based on density functional theory
Xiang Hongjun ,Wei Su-Huai,and Gong XG
PHYSICAL REVIEW B
DOI: 82 035416
PDF
[5]The intriguing thermal conductivity of ice nanotubes
Guo ZX ,Zhang D,Zhai YT,and Gong XG
NANOTECHNOLOGY
DOI: 21 285706
PDF
[6]First-principles studies for CO and O2 on gold nanocluster
Xie YP and Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 132 244302
PDF
[7]Quantum-well states in a double-well system:an example of Cu/Co(Ni)/Cu
Xie YP,Wu YZ,and Gong XG
JOURNAL of PHYSICS:CONDENSED MATTER
DOI: 22 052203
PDF
[8]Structures of [Ag-7(SR)(4)](-) and [Ag-7(DMSA)(4)](-)
Xiang HJ,Wei SH,and Gong XG
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DOI: 132 7355
PDF
[9]Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu2ZnSnS4
Chen SY,Yang JH,Gong XG,Aron Walsh,and Wei SH
PHYSICAL REVIEW B
DOI: 81 245204
PDF
[10]Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction
Yin WJ,Chen SY,Yang JH,Gong XG,Yang YF,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 96 221901
PDF
[11]Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4
Chen SY,Gong XG,Aron Walsh,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 96 021902
PDF
[12]First-Principles Study of Small Oxidized Silver Clusters
Wang Y and Gong XG
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
DOI: 10 5500
PDF
[13]Characterization of the interface between the Hf-based high-k thin film and the Si using spatially resolved electron energy-loss spectroscopy
Wang XF,Li Q,Lee PF,Dai JY,and Gong XG
MICRON
DOI: 41 15
PDF
[14]Gold cluster beyond hollow cage:A double shell structure of Au-58
Dong CD and Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 132 104301
PDF

2009 download
[1]Identifying Optimal Inorganic Nanomaterials for Hybrid Solar Cells
Xiang HJ,Wei SH,and Gong XG
JOURNAL OF PHYSICAL CHEMISTRY C
DOI: 113 18968
PDF
[2]Thermal conductivity of graphene nanoribbons
Zhixin Guo,Dier Zhang,and Xin-Gao Gong
APPLIED PHYSICS LETTERS
DOI: 95 163103
PDF
[3]Ordered ground state wurtzite alloys from zinc-blende parent compounds
Xiang HJ,Wei SH,Chen SY,and Gong XG
PHYSICAL REVIEW B
DOI: 80 113201
PDF
[4]Quaternary semiconductors with positive crystal field splitting:Potential high-efficiency spin-polarized electron sources
Chen SY,Yin WJ,Yang JH,Gong XG,Aron Walsh,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 95 052102
PDF
[5]Energetics and electronic structure of aluminum point defects in HfO2:A first-principles study
Hou ZF,Gong XG,and Li Q
JOURNAL of APPLIED PHYSICS
DOI: 106 014104
PDF
[6]Electronic structure and phase stability of MgTe,ZnTe,CdTe,and their alloys in the B3,B4,and B8 structures
Yang JH,Chen SY,Yin WJ,Gong XG,Aron Walsh,and Wei SH
PHYSICAL REVIEW B
DOI: 79 245202
PDF
[7]Revised ab initio natural band offsets of all group IV,II-VI,and III-V semiconductors
Li YH,Aron Walsh,Chen SY,Yin WJ,Yang JH,Li JB,Juarez L. F. Da Silva,Gong XG,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 94 212109
PDF
[8]Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI and I-III-VI2 compounds
Chen SY,Gong XG,Aron Walsh,and Wei SH
PHYSICAL REVIEW B
DOI: 79 165211
PDF
[9]Configuration dependence of the electronic structure and optical properties of BC2N alloys
Chen SY,Gong XG,and Wei SH
PHYS. STATUS SOLIDI B
DOI: 246589
PDF
[10]Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se)photovoltaic absorbers:First-principles insights
Chen SY,Gong XG,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 94 041903
PDF
[11]Hybridized kinetic energy functional for orbital-free density functional method
Yin WJ,Gong XG
PHYSICS LETTERS A
DOI: 373 480
PDF

2008 download
[1]Diffusion of Vinyl Bromide through the Crystals of p-Bu-t-calix[4]arene
Gu X,Zhang L,Gong XG,Liu ZF
THE JOURNAL OF PHYSICAL CHEMISTRY B
DOI: 112 14851
PDF
[2]A DENSITY-FUNCTIONAL-THEORY STUDY OF MAGNETIC ANISOTROPIES OF ONE-DIMENSIONAL Ni CHAINS AND MAGNETISM OF 3D TRANSITION METALS ON Au(110)-(1X2) SURFACE
Fan W,Gong XG
SURFACE REVIEW AND LETTERS
DOI: 15 567
PDF
[3]Effects of Y doping on the structural stability and defect properties of cubic HfO2
Chen GH,Hou ZF,Gong XG,Li Q
JOURNAL OF APPLIED PHYSICS
DOI: 104 074101Oct 2008
PDF
[4]Structural and electronic properties of cubic HfO2 surfaces
Chen GH,Hou ZF,Gong XG
COMPUTATIONAL MATERIALS SCIENCE
DOI: 4446 Mar 2008
PDF
[5]No Cage,No Tube:Relative Stabilities of Nanostructures
Li SF,Gao L,Gong XG,Guo ZX
JOURNAL OF PHYSICAL CHEMISTRY C
DOI: 112 13200JUN 2008
PDF
[6]Origin of the unusually large band-gap bowing and the breakdown of the band-edge distribution rule in the SnxGe1-x alloys
Yin WJ,Gong XG,Wei SH
PHYSICAL REVIEW B
DOI: 78 Art. No. 161203Jul 2008
PDF
[7]Magnetism enhanced layer-like structure of small cobalt clusters
Dong CD,Gong XG
PHYSICAL REVIEW B
DOI: 78 Art. No. 020409Jul 2008
PDF
[8]Peculiar distribution of Pd on Au nanoclusters:First-principles studies
Yuan DW,Gong XG,Wu RQ
PHYSICAL REVIEW B
DOI: 78 Art. No. 035441 Jul 2008
PDF
[9]Finite element approximations for Schrodinger equations with applications to electronic structure computations
Gong XG,Shen LH,Zhang DE,Zhou AH
JOURNAL OF COMPUTATIONAL MATHEMATICS
DOI: 26 310MAY2008
PDF
[10]Magic number 32 and 90 in metal clusters:A shell jellium model study
Yin WJ,Gu X and Gong XG
SOLID STATE COMMUNICATIONS
DOI: 147323JUN2008
PDF
[11]Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
Zhang DE,Shen LH,Zhou AH,Gong XG
PHYSICS LETTERS A
DOI: 372 5071 JUN2008
PDF
[12]Relativistic Effects and the Unique Low-Symmetry Structures of Gold Nanoclusters
Huang W,Ji M,Dong CD,Gu X,Wang LM,Gong XG,and Wang LS
ACS NANO
DOI: 2 897 MAY 2008
PDF
[13]Al-induced reduction of the oxygen diffusion in HfO2:an ab initio study
Hou ZF,Gong XG,Li Q
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 20Art. No. 135206APR 2008
PDF
[14]Pressure-induced structural transformation of CdSe nanocrystals studied with molecular dynamics
Ye X,SUN DY,Gong XG
PHYSICAL REVIEW B
DOI: 77 Art. No. 094108 Mar 2008
PDF
[15]Ground-state structure of coherent lattice-mismatched zinc-blende A(1-x)B(x)C semiconductor alloys (x=0.25 and 0.75)
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW B77
DOI: Art. No. 073305Feb2008
PDF
[16]Crystal structures and mechanical properties of superhard BC2N and BC4N alloys:First-principles calculations
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW B77
DOI: Art. No. 014113 Jan2008
PDF
[17]Origin of high activity and selectivity of PdAu(001) bimetallic surfaces toward vinyl acetate synthesis
Yuan DW,Gong XG,Wu RQ
JOURNAL OF PHYSICAL CHEMISTRY C
DOI: 112 1539 Feb 2008
PDF

2007 download
[1]Ensemble effects on ethylene dehydrogenation on PdAu(001) surfaces investigated with first-principles calculations and nudged-elastic-band simulations
Yuan,DW,Gong XG,Wu,RQ
PHYSICAL REVIEW B
DOI: 75Art. No. 233401 Jun 2007
PDF
[2]Band-structure anomalies of the chalcopyrite semiconductors CuGaX_2 versus AgGaX_2 (X=S and Se) and their alloys
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW B
DOI: 75Art. No. 205209 May2007
PDF
[3]First-Principles Study of Adsorption and Diffusion on Ge/Si(001) and Ge/Si(105) Surfaces
Huang L,Lu GH,Liu F,Gong XG
SURFACE SCIENCE
DOI: 601(14) 306715 JUL 2007
PDF
[4]Structural transitions of non-helical Au nanotubes induced by axial compression
Gu X,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 19 242205 MAY 25 2007
PDF
[5]Giant piezoresistance and its origin in Si(111) nanowires:First-principles calculations
Cao JX,Gong XG,Wu RQ
PHYSICAL REVIEW B
DOI: 75(23) Art. No.233302JUN 142007
PDF
[6]Au34-:A Fluxional Core-Shell Cluster
Gu X,Bulusu S,Li X,Zeng X C,Li J,Gong XG,Wang LS
JOURNAL OF PHYSICAL CHEMISTRY
DOI: ASAP Article 10.1021/jp071960b S1932-7447(07)01960-7 MAY 17 2007
PDF
[7]Evolution of a symmetry gap and synergetic quantum well states in ultrathin Ag Films on Au(111) substrates
Huang L,Gong XG,Gergert E,Forster F,Bendounan A,Reinert F,Zhang Z
EUROPEAN PHYSICAL LETTERS
DOI: 78(5):57003MAY 16 2007
PDF
[8]Superhard Pseudocubic BC2N Superlattices
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW LETTERS
DOI: 98 (1):Art. No. 015502 JAN 1 2007
PDF
[9]A nanocontainer for the storage of hydrogen
Ye X,Gu X,Gong XG,Shing K M Tony,Liu ZF
CARBON
DOI: 45 (2):315-320 FEB 2007
PDF
[10]Empirical potential for the interaction between molecular hydrogen and graphite
Sun DY,Liu JW,Gong XG,Liu ZF
PHYSICAL REVIEW B
DOI: 75 (7):Art. No. 075424 FEB 26 2007
PDF
[11]Molecular dynamics study of radial pressure transmission in multiwalled carbon nanotubes
Ye X,Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 75 (7):Art. No. 0734406 FEB 7 2007
PDF
[12]Effect of Al addition on the microstructure and electronic structure of HfO2 film
Wang XF,Li Q,Egerton RF,Lee PF,Dai JY,Hou ZF,Gong XG
JOURNAL OF APPLIED PHYSICS
DOI: 101(1):Art. No. 013514 JAN 20 2007
PDF

2006 download
[1]Structures and magnetic moments of Ni n (n=10~60) clusters
Yao HY,Gu X,Ji M,Gong XG,Wang DS
PHYSICS LETTERS A
DOI: 360 (4-5):629-631 SEP 1 2006
PDF
[2]First-principles study of metal atoms adsorbed on SiO2 surface
Yao HY,Gu X,Ji M,Zhang DE,Gong XG
ACTA PHYSICA SINICA
DOI: 55 (11):6042-6046 NOV 2006
PDF
[3]Sharp Corners in the Cross Section of Ultrathin Si Nanowires
Cao JX,Gong XG,Zhong JX,Wu RQ
PHYSICAL REVIEW LETTERS
DOI: 97 (13):Art. No. 136105 SEP 27 2006
PDF
[4]First-principles study of interaction of cluster Au-32 with CO,H-2,and O-2
Wang Y,Gong XG
JOURNAL OF CHEMICAL PHYSICS 1
DOI: 25 (12):Art. No. 124703 SEP 28 2006
PDF
[5]Neutral and negatively charged Al12X (X=Si,Ge,Sn,Pb) clusters studied from first principles
Li SF,Gong XG
PHYSICAL REVIEW B
DOI: 74 (4):Art. No. 045432 JUL 2006
PDF
[6]Ab initio all-electron calculation of absolute volume deformation potentials of IV-IV,III-V,and II-VI semiconductors:The chemical trends
Li YH,Gong XG,Wei SH
PHYSICAL REVIEW B
DOI: 73 (24):Art. No. 245206 JUN 2006
PDF
[7]Phenomenological band structure model of magnetic coupling in semiconductors
Dalpian GA,Wei SH,Gong XG,da Silva AJR,Fazzio A
SOLID STATE COMMUNICATIONS
DOI: 138 (7):353-358 2006
PDF
[8]Ab initio studies on the reaction of O-2 with Ba-n (n=2,5) clusters
Li SF,Xue X,Chen G,Yuan DW,Jia Y,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 124 (22):Art. No. 224711 JUN 14 2006
PDF
[9]Effects of Al addition on the native defects in hafnia
Li Q,Koo KM,Lau WM,Lee PF,Dai JY,Hou ZF,Gong XG
APPLIED PHYSICS LETTERS
DOI: 88 (18):Art. No. 182903 MAY 1 2006
PDF
[10]Stable cubic metal-semiconductor alloy clusters:X4Y4 (X=Cu,Ag,Au,Ti; Y=C,Si)
Li SF,Xue XL,Jia Y,Zhao GF,Zhang MF,Gong XG
PHYSICAL REVIEW B
DOI: 73 (16):Art. No. 165401 APR 2006
PDF
[11]Structural and electronic properties of Al7In (n=1,2,3)
Wei SH,Huang L,Ji M,Gong XG
CHEMICAL PHYSICS LETTERS
DOI: 420 (1-3):125-129 MAR 10 2006
PDF
[12]Ab initio calculation of hydrostatic absolute deformation potential of semiconductors
Li YH,Gong XG,Wei SH
APPLIED PHYSICS LETTERS
DOI: 88 (4):Art. No. 042104 JAN 23 2006
PDF
[13]Surface mobility difference between Si and Ge and its effect on growth of SiGe alloy films and islands
Huang L,Liu F,Lu GH,Gong XG
PHYSICAL REVIEW LETTERS
DOI: 96 (1):Art. No. 016103 JAN 13 2006
PDF

2005 download
[1]Experimental and theoretical investigation of the electronic and geometrical structures of the Au-32 cluster
Ji M,Gu X,Li X,Gong XG,Li J,Wang LS
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
DOI: 44 (43):7119-7123 2005
PDF
[2]Adsorption,segregation,and magnetization of a single Mn adatom on the GaAs(110) surface
Cao JX,Gong XG,Wu RQ
PHYSICAL REVIEW B
DOI: 72 (15):Art. No. 153410 OCT 2005
PDF
[3]Superheated melting of grain boundaries
Fan W,Gong XG
PHYSICAL REVIEW B
DOI: 72 (6):Art. No. 064121 AUG 2005
PDF
[4]Theoretical study of the adsorption of H-2 on (3,3) carbon nanotubes
Chen G,Gong XG,Chan CT
PHYSICAL REVIEW B
DOI: 72 (4):Art. No. 045444 JUL 2005
PDF
[5]Pressure-induced structural transition of double-walled carbon nanotubes
Ye X,Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 72 (3):Art. No. 035454 JUL 2005
PDF
[6]First-principles study of neutral and charged silver clusters
Wang Y,Gong XG
EUROPEAN PHYSICAL JOURNAL D
DOI: 34 (1-3):19-22 JUL 2005
PDF
[7]First-principles studies on the reactions of O-2 with silicon clusters
Li SF,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 122 (17):Art. No. 174311 MAY 1 2005
PDF
[8]First-principles study of Mn-induced local magnetic moments in host semiconductors
Wei SH,Gong XG,Dalpian GM,Wei SH
PHYSICAL REVIEW B 71
DOI: (14):Art. No. 144409 APR 2005
PDF

2004 download
[1]AuN clusters (N = 32,33,34,35):Cagelike structures of pure metal atoms
Gu X,Ji M,Wei SH,Gong XG
PHYSICAL REVIEW B
DOI: 70 (20):Art. No. 205401 NOV 2 2004
PDF
[2]Pressure-induced hard-to-soft transition of a single carbon nanotube
Sun DY,Shu DJ,Ji M,Liu F,Wang M,Gong XG
PHYSICAL REVIEW B
DOI: 70 (16):Art. No. 165417 OCT 22 2004
PDF
[3]Strain effect on adatom binding and diffusion in homo- and heteroepitaxies of Si and Ge on (001) surfaces
Huang L,Liu F,Gong XG
PHYSICAL REVIEW B
DOI: 70 (15):Art. No. 155320 OCT 22 2004
PDF
[4]Structures and Properties of Ni Nanowires
Zhang HY,Gu X,Zhang XH,Ye X,Gong XG
PHYSICS LETTERS A
DOI: 331 (5):332-336 OCT 25 2004
PDF
[5]Comment on "Collapse of single-wall carbon nanotubes is diameter dependent"
Zhang XH,Liu ZF,Gong XG
PHYSICAL REVIEW LETTERS
DOI: 93 (14):Art. No. 149601 OCT 1 2004
PDF
[6]Size-dependent periodically twinned ZnSe nanowires
Li Q,Gong XG,Wang CR,Wang J,Ip K,Hark S
ADVANCED MATERIALS
DOI: 16 (16):1436-1440 AUG 18 2004
PDF
[7]Charge-induced structural changes in Al12C clusters
Li SF,Gong XG
PHYSICAL REVIEW B
DOI: 70 (7):Art. No. 075404 AUG 2004
PDF
[8]Monte Carlo simulation of surface de-alloying of Au/Ni(110)
Fan W,Gong XG
SURFACE SCIENCE
DOI: 562 (1-3):219-225 AUG 1 2004
PDF
[9]Structure and phase transitions of single-wall carbon nanotube bundles under hydrostatic pressure
Zhang XH,Sun DY,Liu ZF,Gong XG
PHYSICAL REVIEW B
DOI: 70 (3):Art. No. 035422 JUL 2004
PDF
[10]Adsorption of a carbon atom on the Ni38 magic cluster and three low-index nickel surfaces:A comparative first-principles study
Zhang QM,Wells JC,Gong XG,Zhang ZY
PHYSICAL REVIEW B
DOI: 69 (20):Art. No. 205413 MAY 2004
PDF
[11]Ab initio study on structural and electronic properties of BanOm clusters
Chen G,Liu ZF,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 120 (17):8020-8024 MAY 1 2004
PDF
[12]Ab initio molecular dynamics simulation on nano-system under external pressure
Ji M,Sun DY,Gong XG
SCIENCE IN CHINA SERIES A-MATHEMATICS
DOI: 47:92-100 Suppl. S APR 2004
PDF
[13]Teracluster LSSC-II:Its designing principles and applications in large scale numerical simulations
Zhang LB,Chen SY,Li XL,Cao JW,Zhang WS,Gong XG
SCIENCE IN CHINA SERIES A-MATHEMATICS
DOI: 47:53-68 Suppl. S APR 2004
PDF
[14]Computational design of carbon nanotube electromechanical pressure sensors
Wu J,Zang J,Larade B,Guo H,Gong XG,Liu F
PHYSICAL REVIEW B
DOI: 69 (15):Art. No. 153406 APR 2004
PDF
[15]Ab initio molecular dynamics simulation on temperature-dependent properties of Al-Si liquid alloy
Ji M,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 16 (15):2507-2514 APR 21 2004
PDF
[16]Pressure-driven confinement of hydrogen molecules between graphene sheets in the regime of van der Waals repulsion
Chan SP,Ji M,Gong XG,Liu ZF
PHYSICAL REVIEW B
DOI: 69 (9):Art. No. 092101 MAR 5 2004
PDF

2003 download
[1]Relative stability of missing-row reconstructed (110) surfaces of noble metals
Nduwimana A,Gong XG,Wang XQ
APPLIED SURFACE SCIENCE
DOI: 219 (1-2):129-135 OCT 15 2003
PDF
[2]Simulation of Ni cluster diffusion on Au(110)-(1 x 2) surface
Fan W,Gong XG
APPLIED SURFACE SCIENCE
DOI: 219 (1-2):117-122 OCT 15 2003
PDF
[3]Carbon nanotube bundles under high pressure:Transformation to low-symmetry structures
Chan SP,Yim WL,Gong XG,Liu ZF
PHYSICAL REVIEW B 68
DOI: (7):Art. No. 075404 AUG 15 2003
PDF
[4]Chemisorption of NO2 on carbon nanotubes
Yim WL,Gong XG,Liu ZF
JOURNAL OF PHYSICAL CHEMISTRY B
DOI: 107 (35):9363-9369 SEP 4 2003
PDF
[5]Structural transition in BanOm clusters
Chen G,Liu ZF,Gong XG
PHYSICAL REVIEW B 67
DOI: (20):art. no. 205415 MAY 15 2003
PDF
[6]Local bias potential in hyper molecular dynamics method
Duan XM,Gong XG
COMPUTATIONAL MATERIALS SCIENCE
DOI: 27 (3):375-380 MAY 2003
PDF
[7]Oxidation of carbon nanotubes by singlet O-2
Chan SP,Chen G,Gong XG,Liu ZF
PHYSICAL REVIEW LETTERS
DOI: 90 (8):art. no. 086403 FEB 28 2003
PDF

2002 download
[1]Instability of an atomic chain arising from lattice misfit
Fan W,Gong XG,Lau WM
PHYSICAL REVIEW B
DOI: 66 (11):art. no. 115418 SEP 15 2002
PDF
[2]A new constant-pressure molecular dynamics method for finite systems
Sun DY,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 14 (26):L487-L493 JUL 8 2002
PDF
[3]Local strain induced anisotropic diffusion on (23x root 3)-Au(111) surface
Liu YB,Sun DY,Gong XG
SURFACE SCIENCE
DOI: 498 (3):337-342 FEB 10 2002
PDF
[4]Structures and stability of Al7C and Al7N clusters
Sun Q,Wang Q,Gong XG,Kumar V,Kawazoe Y
EUROPEAN PHYSICAL JOURNAL D
DOI: 18 (1):77-81 JAN 2002
PDF
[5]Structure and growth modes of (BaO)(n) (n <= 9) clusters
Chen G,Liu ZF,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 116 (4):1339-1342 JAN 22 2002
PDF

2001 download
[1]Simple generic method for predicting the effect of strain on surface diffusion
Shu DJ,Liu F,Gong XG
PHYSICAL REVIEW B
DOI: 64 (24):art. no. 245410 DEC 15 2001
PDF
[2]Chemisorption of hydrogen molecules on carbon nanotubes under high pressure
Chan SP,Chen G,Gong XG,Liu ZF
PHYSICAL REVIEW LETTERS
DOI: 87 (20):art. no. 205502 NOV 12 2001
PDF
[3]Structures and its evolution of Ba-n (n=2 similar to 14) clusters
Chen G,Liu ZF,Gong XG
EUROPEAN PHYSICAL JOURNAL D
DOI: 16 (1-3):33-36 SEP 2001
PDF
[4]Curvature effect on surface diffusion:The nanotube
Shu DJ,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 114 (24):10922-10926 JUN 22 2001
PDF
[5]Electronic structure and magnetic properties of Ni clusters
Duan HM,Gong XG,Zheng QQ,Lin HQ
JOURNAL OF APPLIED PHYSICS
DOI: 89 (11):7308-7310,Part 2 JUN 1 2001
PDF
[6]Soft and hard shells in metallic nanocrystals
Sun DY,Gong XG,Wang XQ
PHYSICAL REVIEW B
DOI: 63 (19):art. no. 193412 MAY 15 2001
PDF
[7]Hypermolecular dynamics simulations of monovacancy diffusion
Duan XM,Sun DY,Gong XG
COMPUTATIONAL MATERIALS SCIENCE
DOI: 20 (2):151-156 FEB 2001
PDF
[8]Metallic coverings of calcium on C-60
Gong XG,Kumar V
CHEMICAL PHYSICS LETTERS
DOI: 334 (4-6):238-244 FEB 9 2001
PDF

2000 download
[1]First-principles study on the intrinsic stability of the magic Fe13O8 Cluster (vol 61,pg 5781,2000)
Sun Q,Wang Q,Parlinski K,Yu JZ,Hashi Y,Gong XG,Kawazoe Y
PHYSICAL REVIEW B
DOI: 62 (23):16176-16176 DEC 15 2000
PDF
[2]Atomic and electronic shells of Al-77
Gong XG,Sun DY,Wang XQ
PHYSICAL REVIEW B
DOI: 62 (23):15413-15416 DEC 15 2000
PDF
[3]A density-functional study of small titanium clusters
Wei SH,Zeng Z,You JQ,Yan XH,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 113 (24):11127-11133 DEC 22 2000
PDF
[4]Efficiency of generalized simulated annealing
Xiang Y,Gong XG
PHYSICAL REVIEW E
DOI: 62 (3):4473-4476,Part B SEP 2000
PDF
[5]\CDƹ\E3ģ\C4\E2\CD˻𷽷\A8\BC\B0\C6\E4Ӧ\D3\C3
Xiang Y,Gong XG
\CE\EF\C0\EDѧ\BD\F8չ(PROGRESS IN PHYSICS)
DOI: 20 (3):319-334 SEP 2000
PDF
[6]Electronic structure of cluster-assembled Al12C (Si) solid
Quan HJ,Gong XG
CHINESE PHYSICS
DOI: 9 (9):656-660 SEP 2000
PDF
[7]Surface trapping of hyperthermal particles:A molecular dynamics simulation
Duan XM,Gong XG
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
DOI: 220 (2):869-874 AUG 2000
PDF
[8]Deposition of small clusters on surface:A molecular dynamics simulation
Duan XM,Gong XG
CHINESE PHYSICS LETTERS
DOI: 17 (6):416-418 2000
PDF
[9]Generalized simulated annealing studies on structures and properties of Ni-n (n=2-55) clusters
Xiang Y,Sun DY,Gong XG
JOURNAL OF PHYSICAL CHEMISTRY A
DOI: 104 (12):2746-2751 MAR 30 2000
PDF
[10]First-principles studies on the intrinsic stability of the magic Fe13O8 cluster
Sun Q,Wang Q,Parlinski K,Yu JZ,Hashi Y,Gong XG,Kawazoe Y
PHYSICAL REVIEW B
DOI: 61 (8):5781-5785 FEB 15 2000
PDF
[11]Electronic structure study of the magnetoresistance material CaCu3Mn4O12 by LSDA and LSDA+U
Wu H,Zheng QQ,Gong XG
PHYSICAL REVIEW B
DOI: 61 (8):5217-5222 FEB 15 2000
PDF
[12]Cluster on the fcc(111) surface:structure,stability and diffusion
Sun DY,Gong XG
SURFACE SCIENCE
DOI: 445 (1):41-48 JAN 10 2000
PDF

1999 download
[1]Rolling:A fast diffusion mechanism for small clusters on a solid surface
Fan W,Gong XG,Lau WM
PHYSICAL REVIEW B
DOI: 60 (15):10727-10730 OCT 15 1999
PDF
[2]A molecular-dynamics study of the anisotropic surface-melting properties of Al(110)
Shu DJ,Sun DY,Gong XG,Lau WM
SURFACE SCIENCE
DOI: 441 (1):206-212 OCT 20 1999
PDF
[3]Interatomic potential fitted for lead
Sun DY,Xiang Y,Gong XG
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES
DOI: 79 (8):1953-1961 AUG 1999
PDF
[4]The electronic structure of CaCuO2 and SrCuO2
Wu H,Zheng QQ,Gong XG,Lin HQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 11 (24):4637-4646 JUN 21 1999
PDF
[5]Molecular dynamics study on the structural changes of the tilt grain boundary in aluminium
Fan W,He YZ,Gong XG
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES
DOI: 79 (6):1321-1333 JUN 1999
PDF
[6]Hyper molecular dynamics with a local bias potential
Gong XG,Wilkins JW
PHYSICAL REVIEW B
DOI: 59 (1):54-57 JAN 1 1999
PDF

1998 download
[1]Ground state properties of a high-spin Mn12O12 molecule in an organic compound
Wang SY,Zou LJ,Gong XG,Zheng QQ,Lin HQ
JOURNAL OF APPLIED PHYSICS
DOI: 83 (11):7100-7102,Part 2 JUN 1 1998
PDF
[2]Different melting behavior of lead surfaces
Sun DY,Shu DJ,Gong XG,Lau LWM
SOLID STATE COMMUNICATIONS
DOI: 108 (6):383-387 1998
PDF
[3]Structural properties and glass transition in Al-n clusters
Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 57 (8):4730-4735 FEB 15 1998
PDF

1997 download
[1]The structure and stability of clusters on surfaces
Sun DY,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 9 (48):10555-10565 DEC 1 1997
PDF
[2]Generalized simulated annealing algorithm and its application to the Thomson model
Xiang Y,Sun DY,Fan W,Gong XG
PHYSICS LETTERS A
DOI: 233 (3):216-220 AUG 25 1997
PDF
[3]Structure and dynamic properties of neutral and ionized SiH5 and Si2H3
Gong XG,Guenzburger D,Saitovitch EB
CHEMICAL PHYSICS LETTERS
DOI: 275 (3-4):392-398 AUG 29 1997
PDF
[4]Structure and stability of cluster-assembled solid Al12C(Si):A first-principles study
Gong XG
PHYSICAL REVIEW B
DOI: 56 (3):1091-1094 JUL 15 1997
PDF
[5]Local magnetism in nanoscale metallic grains
Zou LJ,Zheng QQ,Gong XG
CHINESE PHYSICS LETTERS
DOI: 14 (5):383-386 1997

1996 download
[1]Molecular-dynamics study on the equilibrium structure and the stability of a cluster dimer
Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 54 (23):17051-17056 DEC 15 1996
PDF
[2]Molecular dynamics on the liquid silicon
Sun DY,Gong XG
PROGRESS IN LIQUID PHYSICS
DOI: Lu KQ,Zou XW(ed):33-38 1996
PDF
[3]Can the cluster liquid exist?
Sun DY,Gong XG
PROGRESS IN LIQUID PHYSICS
DOI: Lu KQ,Zou XW(ed):29-33 1996
PDF
[4]Local magnetic properties and electronic structures of 3d and 4d impurities in Cu clusters
Sun Q,Gong XG,Zheng QQ,Sun DY,Wang GH
PHYSICAL REVIEW B
DOI: 54 (15):10896-10904 OCT 15 1996
PDF
[5]The magnetic properties of Fe-3 TMB clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
PHYSICA B
DOI: 222 (1-3):247-251 MAY 1996
PDF
[6]Giant magnetoresistance induced by spin-correlation scattering in magnetic thin films and other compounds
Zou LJ,Gong XG,Zheng QQ,Pan CY
JOURNAL OF APPLIED PHYSICS
DOI: 79 (8):5162-5164,Part 2A APR 15 1996
PDF
[7]The structures and magnetic properties of small FenB clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 8 (11):1805-1810 MAR 11 1996
PDF
[8]The magnetic properties of 4d impurities in Ag-n clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
SOLID STATE COMMUNICATIONS
DOI: 97 (5):429-433 FEB 1996
PDF
[9]The formation of local magnetism in clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
SCIENCE IN CHINA (SERIES A)
DOI: 26,1032 1996
PDF
[10]The first-principle study of the structure and magnetic properties of Fe-B clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
ACTA PHYSICA SINICA
DOI: 45:1146 1996
PDF

1995 download
[1]First-principles study of the magnetic-properties of 4D impurities in Cu-n clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
PHYSICS LETTERS A
DOI: 209 (3-4):249-253 DEC 18 1995
PDF
[2]Stability and electronic-properties of nanoscale silicon clusters
Gong XG
PHYSICAL REVIEW B
DOI: 52 (20):14677-14681 NOV 15 1995
PDF
[3]Size-dependence of the local magnetic-moments in finite system
Zou LJ,Gong XG,Zheng QQ,Pan CY
IEEE TRANSACTIONS ON MAGNETICS
DOI: 31 (6):4151-4153,Part 2 NOV 1995
PDF
[4]Electronic structures and stability of Si-60 and C-60-at-Si-60 clusters
Gong XG,Zheng QQ
PHYSICAL REVIEW B
DOI: 52 (7):4756-4759 AUG 15 1995
PDF
[5]Ab-initio molecular-dynamics studies of a Ga-13 cluster
Gong XG,Zheng QQ,Han RS
SOLID STATE COMMUNICATIONS
DOI: 94 (9):735-739 JUN 1995
PDF
[6]Local spin-density electronic-structures and magnetic-properties of small iron clusters
Gong XG,Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 7 (12):2421-2428 MAR 20 1995
PDF
[7]Structural-properties of silicon clusters - an empirical potential study
Gong XG,Zheng QQ,He YZ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 7 (3):577-584 JAN 16 1995
PDF
[8]Structure and properties of liquid gallium at high pressure
Gong XG
ACTA PHYSICA SINICA
DOI: 44:885 1995
PDF
[9]Electronic structure and relative stability of icosahedral clusters in aluminum-transition metal quasicrystal and approximates
Gong XG,Kumar V
PROC. 5TH INT. CONF. QUASICRYSTALS Janot C,Mosseri R
DOI: (eds):484-487 MAY 1995
PDF

1994 download
[1]Electronic structure and relative stability of icosahedral Al-transition-metal clusters
Gong XG,Kumar V
PHYSICAL REVIEW B
DOI: 50 (23):17701-17704 DEC 15 1994
PDF
[2]Cluster model studies on the electronic and magnetic properties of LaCo13 and La(FexAl1-x)(13) alloys
Zhang GW,Gong XG,Zheng QQ,Zhao JG
JOURNAL OF APPLIED PHYSICS
DOI: 76 (10):7037-7039,Part 2 NOV 15 1994
PDF

1993 download
[1]A theoretical-study of Si chemisorption on Ru(001) surface
Wei P,Gong XG,Qi ZQ
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
DOI: 180 (1):127-134 NOV 1993
PDF
[2]Electronic-structures of magnesium clusters
Gong XG,Zheng QQ,He YZ
PHYSICS LETTERS A 181
DOI: (6):459-464 NOV 1 1993
PDF
[3]Enhanced stability of magic clusters - a case-study of icosahedral Al12X,X=B,Al,Ga,C,Si,Ge,Ti,As
Gong XG,Kumar V
PHYSICAL REVIEW LETTERS
DOI: 70 (14):2078-2081 APR 5 1993
PDF
[4]Coexistence of monatomic and diatomic molecular fluid character in liquid gallium
Gong XG,Chiarotti GL,Parrinello M,Tosatti E
EUROPHYSICS LETTERS
DOI: 21 (4):469-475 FEB 1 1993
PDF
[5]Hole distribution in YBCO superconductor-ionic model studies
Gong XG,Pan W,Zheng QQ
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
DOI: 175 (1):197-202 JAN 1993
PDF
[6]Empirical-potential studies on the structural-properties of small silicon clusters
Gong XG
PHYSICAL REVIEW B
DOI: 47 (4):2329-2332 JAN 15 1993
PDF
[7]Electronic structure of solid gallium
Gong XG
ACTA PHYSICA SINICA
DOI: 42:619 1993
PDF
[8]Ab initio molecular-dynamics studies on the gallium clusters
Gong XG,Zheng QQ
ACTA PHYSICA SINICA
DOI: 42:244 1993
PDF
[9]Pressure induced hole redistribution in YBCO
Gong XG,Pan W,Zheng QQ
CHINESE JOURNAL OF LOW TEMPERATURE PHYSICS
DOI: 15:419 1993
PDF

1992 download
[1]Structure of small gallium clusters
Gong XG,Tosatti E
PHYSICS LETTERS
DOI: A 166 (5-6):369-372 JUN 29 1992
PDF
[2]Molecular-dynamics study on small silicon clusters
Gong XG,Zheng QQ,He YZ
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
DOI: 9:721 1992
PDF
[3]Calculation of symmetry coefficients in complex cluster
Gong XG,Zheng QQ,Pan W
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
DOI: 9:512 1992
PDF

1991 download
[1]Alpha-gallium - a metallic molecular-crystal
Gong XG,Chiarotti GL,Parrinello M,Tosatti E
PHYSICAL REVIEW B
DOI: 43 (17):14277-14280 JUN 15 1991
PDF

Before 1990 download
[1]Electronic structure of light impurities in alpha-Fe and V
Gong XG,Zeng Z,Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 1 (41):7577-7582 OCT 16 1989
PDF
[2]The electronic structure of the surface of the superconductor YBa2Cu3O7
Gong XG,Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 1 (3):593-598 JAN 23 1989
PDF
[3]A theoretical study of electronic structure for twin stacking faults in silicon
Gong XG,Zheng QQ,Han RS
SOLID STATE COMMUNICATIONS
DOI: 62:65 1987
PDF
[4]Self-consistent cluster calculation of electronic structure and energy for hydrogen and carbon impurities in bcc iron
Gong XG,Zeng Z,Zheng QQ
STATISTICAL PHYSICS AND CONDENSED MATTER THEORY Xie XD
DOI: (ed):73 World Scientific 1986
PDF