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Publications
[2009]
[2008] [2007]
[2006] [2005]
[2004] [2003]
[2002] [2001]
[2000] [1999]
[1998] [1997]
[1996] [1995]
[1994] [1993]
[1992] [1991]
[Before 1990]
2009
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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 95 052102 PDF
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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 106 014104 PDF
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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 79 245202 PDF
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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 94 212109 PDF
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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 79 165211 PDF
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Configuration dependence of the electronic structure and optical properties of BC2N alloys
- Chen SY, Gong XG, and Wei SH
PHYS. STATUS SOLIDI B 246 589 PDF
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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 94 041903 PDF
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Hybridized kinetic energy functional for orbital-free density functional method
- Yin WJ, Gong XG
PHYSICS LETTERS A 373 480 PDF
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2008
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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 112 14851 PDF
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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 15 567 PDF
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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 104 074101 Oct 2008 PDF
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Structural and electronic properties of cubic HfO2 surfaces
- Chen GH,Hou ZF, Gong XG
COMPUTATIONAL MATERIALS SCIENCE 44 46 Mar 2008 PDF
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No Cage, No Tube: Relative Stabilities of Nanostructures
- Li SF, Gao L, Gong XG,Guo ZX
JOURNAL OF PHYSICAL CHEMISTRY C 112 13200 JUN 2008 PDF
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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 78 Art. No. 161203 Jul 2008 PDF
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Magnetism enhanced layer-like structure of small cobalt clusters
- Dong CD, Gong XG
PHYSICAL REVIEW B 78 Art. No. 020409 Jul 2008 PDF
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Peculiar distribution of Pd on Au nanoclusters: First-principles studies
- Yuan DW, Gong XG,Wu RQ
PHYSICAL REVIEW B 78 Art. No. 035441 Jul 2008 PDF
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Finite element approximations for Schrodinger equations with applications to electronic structure computations
- Gong XG, Shen LH, Zhang DE, Zhou AH
JOURNAL OF COMPUTATIONAL MATHEMATICS
26 310 MAY 2008 PDF
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Magic number 32 and 90 in metal clusters: A shell jellium model study
- Yin WJ, Gu X and Gong XG
SOLID STATE COMMUNICATIONS
147 323 JUN 2008 PDF
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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
372 5071 JUN 2008 PDF
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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 2 897 MAY 2008 PDF
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Al-induced reduction of the oxygen diffusion in HfO2: an ab initio study
- Hou ZF, Gong XG, Li Q
JOURNAL OF PHYSICS-CONDENSED MATTER 20 Art. No. 135206 APR 2008 PDF
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Pressure-induced structural transformation of CdSe nanocrystals studied with molecular dynamics
- Ye X, SUN DY, Gong XG
PHYSICAL REVIEW B 77 Art. No. 094108 Mar 2008 PDF
- 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 B 77 Art. No. 073305 Feb 2008 PDF
- Crystal structures and mechanical properties of superhard BC2N and BC4N alloys: First-principles calculations
- Chen SY, Gong XG, Wei SH
PHYSICAL REVIEW B 77 Art. No. 014113 Jan 2008 PDF
- 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 112 1539 Feb 2008 PDF
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2007
- 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 75 Art. No. 233401 Jun 2007 PDF
- 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 75 Art. No. 205209 May 2007 PDF
- 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 601(14) 3067 15 JUL 2007 PDF
- Structural transitions of non-helical Au nanotubes induced by axial compression
- Gu X, Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER 19 242205 MAY 25 2007 PDF
- Giant piezoresistance and its origin in Si(111) nanowires:
First-principles calculations
- Cao JX, Gong XG, Wu RQ
PHYSICAL REVIEW B 75(23) Art. No. 233302 JUN 14 2007 PDF
- 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 ASAP Article 10.1021/jp071960b S1932-7447(07)01960-7 MAY 17 2007 PDF
- 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 78(5): 57003 MAY 16 2007 PDF
- Superhard Pseudocubic BC2N Superlattices
- Chen SY, Gong XG, Wei SH
PHYSICAL REVIEW LETTERS 98 (1): Art. No. 015502 JAN 1 2007 PDF
COMMENT REPLY
- A nanocontainer for the storage of hydrogen
- Ye X, Gu X, Gong XG, Shing K M Tony, Liu ZF
CARBON 45 (2): 315-320 FEB 2007 PDF
- Empirical potential for the interaction between molecular hydrogen and graphite
- Sun DY, Liu JW, Gong XG, Liu ZF
PHYSICAL REVIEW B 75 (7): Art. No. 075424 FEB 26 2007 PDF
- Molecular dynamics study of radial pressure transmission in multiwalled carbon nanotubes
- Ye X, Sun DY, Gong XG
PHYSICAL REVIEW B 75 (7): Art. No. 0734406 FEB 7 2007 PDF
- 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 101(1): Art. No. 013514 JAN 20 2007 PDF
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2006
- Structures and magnetic moments of Ni n (n=10~60) clusters
- Yao HY, Gu X, Ji M, Gong XG, Wang DS
PHYSICS LETTERS A 360 (4-5): 629-631 SEP 1 2006 PDF
Supporting Online Material
- First-principles study of metal atoms adsorbed on SiO2 surface
- Yao HY, Gu X, Ji M, Zhang DE, Gong XG
ACTA PHYSICA SINICA 55 (11): 6042-6046 NOV 2006 PDF
- Sharp Corners in the Cross Section of Ultrathin Si Nanowires
- Cao JX, Gong XG, Zhong JX, Wu RQ
PHYSICAL REVIEW LETTERS 97 (13): Art. No. 136105 SEP 27 2006 PDF
- First-principles study of interaction of cluster Au-32 with CO, H-2, and O-2
- Wang Y, Gong XG
JOURNAL OF CHEMICAL PHYSICS 125 (12): Art. No. 124703 SEP 28 2006 PDF
- Neutral and negatively charged Al12X (X=Si, Ge, Sn, Pb) clusters studied from first principles
- Li SF, Gong XG
PHYSICAL REVIEW B 74 (4): Art. No. 045432 JUL 2006 PDF
- 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 73 (24): Art. No. 245206 JUN 2006 PDF
- Phenomenological band structure model of magnetic coupling in semiconductors
- Dalpian GA, Wei SH, Gong XG, da Silva AJR, Fazzio A
SOLID STATE COMMUNICATIONS 138 (7): 353-358 2006 PDF
- 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 124 (22): Art. No. 224711 JUN 14 2006PDF
- 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 88 (18): Art. No. 182903 MAY 1 2006 PDF
- 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 73 (16): Art. No. 165401 APR 2006 PDF
- Structural and electronic properties of Al7In (n=1,2,3)
- Wei SH, Huang L, Ji M, Gong XG
CHEMICAL PHYSICS LETTERS 420 (1-3): 125-129 MAR 10 2006 PDF
- Ab initio calculation of hydrostatic absolute deformation potential of semiconductors
- Li YH, Gong XG, Wei SH
APPLIED PHYSICS LETTERS 88 (4): Art. No. 042104 JAN 23 2006 PDF
- 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 96 (1): Art. No. 016103 JAN 13 2006 PDF
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2005
- 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 44 (43): 7119-7123 2005 PDF
- Adsorption, segregation, and magnetization of a single Mn adatom on the GaAs(110) surface
- Cao JX, Gong XG, Wu RQ
PHYSICAL REVIEW B 72 (15): Art. No. 153410 OCT 2005 PDF
- Superheated melting of grain boundaries
- Fan W, Gong XG
PHYSICAL REVIEW B 72 (6): Art. No. 064121 AUG 2005 PDF
- Theoretical study of the adsorption of H-2 on (3,3) carbon nanotubes
- Chen G, Gong XG, Chan CT
PHYSICAL REVIEW B 72 (4): Art. No. 045444 JUL 2005 PDF
- Pressure-induced structural transition of double-walled carbon nanotubes
- Ye X, Sun DY, Gong XG
PHYSICAL REVIEW B 72 (3): Art. No. 035454 JUL 2005 PDF
- First-principles study of neutral and charged silver clusters
- Wang Y, Gong XG
EUROPEAN PHYSICAL JOURNAL D 34 (1-3): 19-22 JUL 2005 PDF
- First-principles studies on the reactions of O-2 with silicon clusters
- Li SF, Gong XG
JOURNAL OF CHEMICAL PHYSICS 122 (17): Art. No. 174311 MAY 1 2005 PDF
- First-principles study of Mn-induced local magnetic moments in host semiconductors
- Wei SH, Gong XG, Dalpian GM, Wei SH
PHYSICAL REVIEW B 71 (14): Art. No. 144409 APR 2005 PDF
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2004
- AuN clusters (N = 32,33,34,35): Cagelike structures of pure metal atoms
- Gu X, Ji M, Wei SH, Gong XG
PHYSICAL REVIEW B 70 (20): Art. No. 205401 NOV 2 2004 PDF
- 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 70 (16): Art. No. 165417 OCT 22 2004 PDF
- 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 70 (15): Art. No. 155320 OCT 22 2004 PDF
- Structures and Properties of Ni Nanowires
- Zhang HY, Gu X, Zhang XH, Ye X, Gong XG
PHYSICS LETTERS A 331 (5): 332-336 OCT 25 2004 PDF
- Comment on "Collapse of single-wall carbon nanotubes is diameter dependent"
- Zhang XH, Liu ZF, Gong XG
PHYSICAL REVIEW LETTERS 93 (14): Art. No. 149601 OCT 1 2004 PDF
- Size-dependent periodically twinned ZnSe nanowires
- Li Q, Gong XG, Wang CR, Wang J, Ip K, Hark S
ADVANCED MATERIALS 16 (16): 1436-1440 AUG 18 2004 PDF
- Charge-induced structural changes in Al12C clusters
- Li SF, Gong XG
PHYSICAL REVIEW B 70 (7): Art. No. 075404 AUG 2004 PDF
- Monte Carlo simulation of surface de-alloying of Au/Ni(110)
- Fan W, Gong XG
SURFACE SCIENCE 562 (1-3): 219-225 AUG 1 2004 PDF
- Structure and phase transitions of single-wall carbon nanotube bundles under hydrostatic pressure
- Zhang XH, Sun DY, Liu ZF, Gong XG
PHYSICAL REVIEW B 70 (3): Art. No. 035422 JUL 2004 PDF
- 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 69 (20): Art. No. 205413 MAY 2004 PDF
- Ab initio study on structural and electronic properties of BanOm clusters
- Chen G, Liu ZF, Gong XG
JOURNAL OF CHEMICAL PHYSICS 120 (17): 8020-8024 MAY 1 2004 PDF
- Ab initio molecular dynamics simulation on nano-system under external pressure
- Ji M, Sun DY, Gong XG
SCIENCE IN CHINA SERIES A-MATHEMATICS 47: 92-100 Suppl. S APR 2004 PDF
- 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 47: 53-68 Suppl. S APR 2004 PDF
- Computational design of carbon nanotube electromechanical pressure sensors
- Wu J, Zang J, Larade B, Guo H, Gong XG, Liu F
PHYSICAL REVIEW B 69 (15): Art. No. 153406 APR 2004 PDF
- Ab initio molecular dynamics simulation on temperature-dependent properties of Al-Si liquid alloy
- Ji M, Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER 16 (15): 2507-2514 APR 21 2004 PDF
- 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 69 (9): Art. No. 092101 MAR 5 2004 PDF
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2003
- Relative stability of missing-row reconstructed (110) surfaces of noble metals
- Nduwimana A, Gong XG, Wang XQ
APPLIED SURFACE SCIENCE 219 (1-2): 129-135 OCT 15 2003 PDF
- Simulation of Ni cluster diffusion on Au(110)-(1 x 2) surface
- Fan W, Gong XG
APPLIED SURFACE SCIENCE 219 (1-2): 117-122 OCT 15 2003 PDF
- Carbon nanotube bundles under high pressure: Transformation to low-symmetry structures
- Chan SP, Yim WL, Gong XG, Liu ZF
PHYSICAL REVIEW B 68 (7): Art. No. 075404 AUG 15 2003 PDF
- Chemisorption of NO2 on carbon nanotubes
- Yim WL, Gong XG, Liu ZF
JOURNAL OF PHYSICAL CHEMISTRY B 107 (35): 9363-9369 SEP 4 2003 PDF
- Structural transition in BanOm clusters
- Chen G, Liu ZF, Gong XG
PHYSICAL REVIEW B 67 (20): art. no. 205415 MAY 15 2003 PDF
- Local bias potential in hyper molecular dynamics method
- Duan XM, Gong XG
COMPUTATIONAL MATERIALS SCIENCE 27 (3): 375-380 MAY 2003 PDF
- Oxidation of carbon nanotubes by singlet O-2
- Chan SP, Chen G, Gong XG, Liu ZF
PHYSICAL REVIEW LETTERS 90 (8): art. no. 086403 FEB 28 2003 PDF
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2002
- Instability of an atomic chain arising from lattice misfit
- Fan W, Gong XG, Lau WM
PHYSICAL REVIEW B 66 (11): art. no. 115418 SEP 15 2002 PDF
- A new constant-pressure molecular dynamics method for finite systems
- Sun DY, Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER 14 (26): L487-L493 JUL 8 2002 PDF
- Local strain induced anisotropic diffusion on (23x root 3)-Au(111) surface
- Liu YB, Sun DY, Gong XG
SURFACE SCIENCE 498 (3): 337-342 FEB 10 2002 PDF
- Structures and stability of Al7C and Al7N clusters
- Sun Q, Wang Q, Gong XG, Kumar V, Kawazoe Y
EUROPEAN PHYSICAL JOURNAL D 18 (1): 77-81 JAN 2002 PDF
- Structure and growth modes of (BaO)(n) (n <= 9) clusters
- Chen G, Liu ZF, Gong XG
JOURNAL OF CHEMICAL PHYSICS 116 (4): 1339-1342 JAN 22 2002 PDF
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2001
- Simple generic method for predicting the effect of strain on surface diffusion
- Shu DJ, Liu F, Gong XG
PHYSICAL REVIEW B 64 (24): art. no. 245410 DEC 15 2001 PDF
- Chemisorption of hydrogen molecules on carbon nanotubes under high pressure
- Chan SP, Chen G, Gong XG, Liu ZF
PHYSICAL REVIEW LETTERS 87 (20): art. no. 205502 NOV 12 2001 PDF
- Structures and its evolution of Ba-n (n=2 similar to 14) clusters
- Chen G, Liu ZF, Gong XG
EUROPEAN PHYSICAL JOURNAL D 16 (1-3): 33-36 SEP 2001 PDF
- Curvature effect on surface diffusion: The nanotube
- Shu DJ, Gong XG
JOURNAL OF CHEMICAL PHYSICS 114 (24): 10922-10926 JUN 22 2001 PDF
- Electronic structure and magnetic properties of Ni clusters
- Duan HM, Gong XG, Zheng QQ, Lin HQ
JOURNAL OF APPLIED PHYSICS 89 (11): 7308-7310, Part 2 JUN 1 2001 PDF
- Soft and hard shells in metallic nanocrystals
- Sun DY, Gong XG, Wang XQ
PHYSICAL REVIEW B 63 (19): art. no. 193412 MAY 15 2001 PDF
- Hypermolecular dynamics simulations of monovacancy diffusion
- Duan XM, Sun DY, Gong XG
COMPUTATIONAL MATERIALS SCIENCE 20 (2): 151-156 FEB 2001 PDF
- Metallic coverings of calcium on C-60
- Gong XG, Kumar V
CHEMICAL PHYSICS LETTERS 334 (4-6): 238-244 FEB 9 2001 PDF
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2000
- 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 62 (23): 16176-16176 DEC 15 2000 PDF
- Atomic and electronic shells of Al-77
- Gong XG, Sun DY, Wang XQ
PHYSICAL REVIEW B 62 (23): 15413-15416 DEC 15 2000 PDF
- A density-functional study of small titanium clusters
- Wei SH, Zeng Z, You JQ, Yan XH, Gong XG
JOURNAL OF CHEMICAL PHYSICS 113 (24): 11127-11133 DEC 22 2000 PDF
- Efficiency of generalized simulated annealing
- Xiang Y, Gong XG
PHYSICAL REVIEW E 62 (3): 4473-4476, Part B SEP 2000 PDF
- 推广模拟退火方法及其应用
- Xiang Y, Gong XG
物理学进展(PROGRESS IN PHYSICS) 20 (3): 319-334 SEP 2000 PDF
- Electronic structure of cluster-assembled Al12C (Si) solid
- Quan HJ, Gong XG
CHINESE PHYSICS 9 (9): 656-660 SEP 2000 PDF
- Surface trapping of hyperthermal particles: A molecular dynamics simulation
- Duan XM, Gong XG
PHYSICA STATUS SOLIDI B-BASIC RESEARCH 220 (2): 869-874 AUG 2000 PDF
- Deposition of small clusters on surface: A molecular dynamics simulation
- Duan XM, Gong XG
CHINESE PHYSICS LETTERS 17 (6): 416-418 2000
- 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 104 (12): 2746-2751 MAR 30 2000 PDF
- 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 61 (8): 5781-5785 FEB 15 2000 PDF
- Electronic structure study of the magnetoresistance material CaCu3Mn4O12 by LSDA and LSDA+U
- Wu H, Zheng QQ, Gong XG
PHYSICAL REVIEW B 61 (8): 5217-5222 FEB 15 2000 PDF
- Cluster on the fcc(111) surface: structure, stability and diffusion
- Sun DY, Gong XG
SURFACE SCIENCE 445 (1): 41-48 JAN 10 2000 PDF
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1999
- Rolling: A fast diffusion mechanism for small clusters on a solid surface
- Fan W, Gong XG, Lau WM
PHYSICAL REVIEW B 60 (15): 10727-10730 OCT 15 1999 PDF
- A molecular-dynamics study of the anisotropic surface-melting properties of Al(110)
- Shu DJ, Sun DY, Gong XG, Lau WM
SURFACE SCIENCE 441 (1): 206-212 OCT 20 1999 PDF
- Interatomic potential fitted for lead
- Sun DY, Xiang Y, Gong XG
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES 79 (8): 1953-1961 AUG 1999 PDF
- The electronic structure of CaCuO2 and SrCuO2
- Wu H, Zheng QQ, Gong XG, Lin HQ
JOURNAL OF PHYSICS-CONDENSED MATTER 11 (24): 4637-4646 JUN 21 1999 PDF
- 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 79 (6): 1321-1333 JUN 1999 PDF
- Hyper molecular dynamics with a local bias potential
- Gong XG, Wilkins JW
PHYSICAL REVIEW B 59 (1): 54-57 JAN 1 1999 PDF
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1998
- 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 83 (11): 7100-7102, Part 2 JUN 1 1998 PDF
- Different melting behavior of lead surfaces
- Sun DY, Shu DJ, Gong XG, Lau LWM
SOLID STATE COMMUNICATIONS 108 (6): 383-387 1998 PDF
- Structural properties and glass transition in Al-n clusters
- Sun DY, Gong XG
PHYSICAL REVIEW B 57 (8): 4730-4735 FEB 15 1998 PDF
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1997
- The structure and stability of clusters on surfaces
- Sun DY, Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER 9 (48): 10555-10565 DEC 1 1997 PDF
- Generalized simulated annealing algorithm and its application to the Thomson model
- Xiang Y, Sun DY, Fan W, Gong XG
PHYSICS LETTERS A 233 (3): 216-220 AUG 25 1997 PDF
- Structure and dynamic properties of neutral and ionized SiH5 and Si2H3
- Gong XG, Guenzburger D, Saitovitch EB
CHEMICAL PHYSICS LETTERS 275 (3-4): 392-398 AUG 29 1997 PDF
- Structure and stability of cluster-assembled solid Al12C(Si): A first-principles study
- Gong XG
PHYSICAL REVIEW B 56 (3): 1091-1094 JUL 15 1997 PDF
- Local magnetism in nanoscale metallic grains
- Zou LJ, Zheng QQ, Gong XG
CHINESE PHYSICS LETTERS 14 (5): 383-386 1997
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1996
- Molecular-dynamics study on the equilibrium structure and the stability of a cluster dimer
- Sun DY, Gong XG
PHYSICAL REVIEW B 54 (23): 17051-17056 DEC 15 1996 PDF
- Molecular dynamics on the liquid silicon
- Sun DY, Gong XG
PROGRESS IN LIQUID PHYSICS Lu KQ, Zou XW(ed): 33-38 1996
- Can the cluster liquid exist?
- Sun DY, Gong XG
PROGRESS IN LIQUID PHYSICS Lu KQ, Zou XW(ed): 29-33 1996
- 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 54 (15): 10896-10904 OCT 15 1996 PDF
- The magnetic properties of Fe-3 TMB clusters
- Sun Q, Gong XG, Zheng QQ, Wang GH
PHYSICA B 222 (1-3): 247-251 MAY 1996 PDF
- 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 79 (8): 5162-5164, Part 2A APR 15 1996 PDF
- The structures and magnetic properties of small FenB clusters
- Sun Q, Gong XG, Zheng QQ, Wang GH
JOURNAL OF PHYSICS-CONDENSED MATTER 8 (11): 1805-1810 MAR 11 1996 PDF
- The magnetic properties of 4d impurities in Ag-n clusters
- Sun Q, Gong XG, Zheng QQ, Wang GH
SOLID STATE COMMUNICATIONS 97 (5): 429-433 FEB 1996 PDF
- The formation of local magnetism in clusters
- Sun Q, Gong XG, Zheng QQ, Wang GH
SCIENCE IN CHINA (SERIES A) 26, 1032 1996
- 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 45: 1146 1996 PDF
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1995
- 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 209 (3-4): 249-253 DEC 18 1995 PDF
- Stability and electronic-properties of nanoscale silicon clusters
- Gong XG
PHYSICAL REVIEW B 52 (20): 14677-14681 NOV 15 1995 PDF
- Size-dependence of the local magnetic-moments in finite system
- Zou LJ, Gong XG, Zheng QQ, Pan CY
IEEE TRANSACTIONS ON MAGNETICS 31 (6): 4151-4153, Part 2 NOV 1995
- Electronic structures and stability of Si-60 and C-60-at-Si-60 clusters
- Gong XG, Zheng QQ
PHYSICAL REVIEW B 52 (7): 4756-4759 AUG 15 1995 PDF
- Ab-initio molecular-dynamics studies of a Ga-13 cluster
- Gong XG, Zheng QQ, Han RS
SOLID STATE COMMUNICATIONS 94 (9): 735-739 JUN 1995 PDF
- Local spin-density electronic-structures and magnetic-properties of small iron clusters
- Gong XG, Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER 7 (12): 2421-2428 MAR 20 1995 PDF
- Structural-properties of silicon clusters - an empirical potential study
- Gong XG, Zheng QQ, He YZ
JOURNAL OF PHYSICS-CONDENSED MATTER 7 (3): 577-584 JAN 16 1995 PDF
- Structure and properties of liquid gallium at high pressure
- Gong XG
ACTA PHYSICA SINICA 44: 885 1995 PDF
- 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 (eds): 484-487 MAY 1995
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1994
- Electronic structure and relative stability of icosahedral Al-transition-metal clusters
- Gong XG, Kumar V
PHYSICAL REVIEW B 50 (23): 17701-17704 DEC 15 1994 PDF
- 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 76 (10): 7037-7039, Part 2 NOV 15 1994 PDF
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1993
- A theoretical-study of Si chemisorption on Ru(001) surface
- Wei P, Gong XG, Qi ZQ
PHYSICA STATUS SOLIDI B-BASIC RESEARCH 180 (1): 127-134 NOV 1993
- Electronic-structures of magnesium clusters
- Gong XG, Zheng QQ, He YZ
PHYSICS LETTERS A 181 (6): 459-464 NOV 1 1993
- 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 70 (14): 2078-2081 APR 5 1993 PDF
- Coexistence of monatomic and diatomic molecular fluid character in liquid gallium
- Gong XG, Chiarotti GL, Parrinello M, Tosatti E
EUROPHYSICS LETTERS 21 (4): 469-475 FEB 1 1993
- Hole distribution in YBCO superconductor - ionic model studies
- Gong XG, Pan W, Zheng QQ
PHYSICA STATUS SOLIDI B-BASIC RESEARCH 175 (1): 197-202 JAN 1993
- Empirical-potential studies on the structural-properties of small silicon clusters
- Gong XG
PHYSICAL REVIEW B 47 (4): 2329-2332 JAN 15 1993 PDF
- Electronic structure of solid gallium
- Gong XG
ACTA PHYSICA SINICA 42: 619 1993 PDF
- Ab initio molecular-dynamics studies on the gallium clusters
- Gong XG, Zheng QQ
ACTA PHYSICA SINICA 42: 244 1993 PDF
- Pressure induced hole redistribution in YBCO
- Gong XG, Pan W, Zheng QQ
CHINESE JOURNAL OF LOW TEMPERATURE PHYSICS 15: 419 1993
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1992
- Structure of small gallium clusters
- Gong XG, Tosatti E
PHYSICS LETTERS A 166 (5-6): 369-372 JUN 29 1992
- Molecular-dynamics study on small silicon clusters
- Gong XG, Zheng QQ, He YZ
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 9: 721 1992
- Calculation of symmetry coefficients in complex cluster
- Gong XG, Zheng QQ, Pan W
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 9: 512 1992
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1991
- Alpha-gallium - a metallic molecular-crystal
- Gong XG, Chiarotti GL, Parrinello M, Tosatti E
PHYSICAL REVIEW B 43 (17): 14277-14280 JUN 15 1991 PDF
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Before 1990
- Electronic structure of light impurities in alpha-Fe and V
- Gong XG, Zeng Z, Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER 1 (41): 7577-7582 OCT 16 1989 PDF
- The electronic structure of the surface of the superconductor YBa2Cu3O7
- Gong XG, Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER 1 (3): 593-598 JAN 23 1989 PDF
- A theoretical study of electronic structure for twin stacking faults in silicon
- Gong XG, Zheng QQ, Han RS
SOLID STATE COMMUNICATIONS 62: 65 1987
- 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 (ed): 73 World Scientific 1986
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