SELF-CONSISTENT TIGHT-BINDING THEORY OF ELASTICITY IN IONIC SOLIDS

被引:68
|
作者
STRAUB, GK
HARRISON, WA
机构
来源
PHYSICAL REVIEW B | 1989年 / 39卷 / 14期
关键词
D O I
10.1103/PhysRevB.39.10325
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:10325 / 10330
页数:6
相关论文
共 50 条
  • [41] Stable structures of neutral and charged iron clusters by self-consistent tight-binding molecular-dynamics
    Tohoku Univ, Sendai, Japan
    Mater Trans JIM, 9 (859-862):
  • [42] Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method
    Witek, HA
    Morokuma, K
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (15) : 1858 - 1864
  • [43] Self-Consistent Charge Density-Functional Tight-Binding Parametrization for Pt-Ru Alloys
    Shi, Hongbo
    Koskinen, Pekka
    Ramasubramaniam, Ashwin
    JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 121 (12): : 2497 - 2502
  • [44] Class IV charge model for the self-consistent charge density-functional tight-binding method
    Kalinowski, JA
    Lesyng, B
    Thompson, JD
    Cramer, CJ
    Truhlar, DG
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (13): : 2545 - 2549
  • [45] Stable structures of neutral and charged iron clusters by self-consistent tight-binding molecular-dynamics
    Taneda, A
    Kawazoe, Y
    MATERIALS TRANSACTIONS JIM, 1999, 40 (09): : 859 - 862
  • [46] Optical and electronic properties of semiconductor 2D nanosystems: Self-consistent tight-binding calculations
    Universita di Roma `Tor Vergata', Roma, Italy
    VLSI Des, 1-4 (469-473):
  • [47] SELF-CONSISTENT TIGHT-BINDING INVESTIGATION OF CHEMICAL TRENDS FOR NATIVE DEFECTS IN III-V SEMICONDUCTORS
    KUHN, W
    STREHLOW, R
    HANKE, M
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1987, 141 (02): : 541 - 557
  • [48] The treatment of solvation by a generalized born model and a self-consistent charge-density functional theory-based tight-binding method
    Xie, L
    Liu, HY
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2002, 23 (15) : 1404 - 1415
  • [49] A self-consistent optical potential theory for atoms in solids
    Fujikawa, T
    Hatada, K
    Yikegaki, T
    Hedin, L
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1998, 88 : 649 - 655
  • [50] Self-consistent tight binding model adapted for hydrocarbon systems
    Areshkin, DA
    Shenderova, OA
    Schall, JD
    Brenner, DW
    MOLECULAR SIMULATION, 2005, 31 (08) : 585 - 595