TIGHT-BINDING METHODS AS APPLIED TO TRANSITION-METAL SURFACES

被引:2
|
作者
ALLAN, G
机构
[1] Institut d'Electronique et de Microélectronique, Département ISEN, F-59046 LilleCedex, 41, Boulevard Vauban
关键词
D O I
10.1016/0039-6028(94)90664-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A few simple models are described from the earliest cubium to recent applications to metallic superlattices. It is shown how these simple models have allowed us to understand the properties of transition metals surfaces such as surface tension, core level shifts and surface magnetism. Simple theoretical methods as moment or recursion are also explained as they have been developed at the beginning for surface studies.
引用
收藏
页码:319 / 331
页数:13
相关论文
共 50 条
  • [31] Empirical tight-binding applied to silicon nanoclusters
    Allan, G
    Delerue, C
    Lannoo, M
    TIGHT-BINDING APPROACH TO COMPUTATIONAL MATERIALS SCIENCE, 1998, 491 : 299 - 308
  • [32] Origin of surface stress on late transition metal surfaces: Ab initio local stress and tight-binding model
    Shiihara, Yoshinori
    Kohyama, Masanori
    Ishibashi, Shoji
    PHYSICAL REVIEW B, 2013, 87 (12):
  • [34] Interlayer surface relaxations and energies of fcc metal surfaces by a tight-binding method
    Haftel, MI
    Bernstein, N
    Mehl, MJ
    Papaconstantopoulos, DA
    PHYSICAL REVIEW B, 2004, 70 (12) : 125419 - 1
  • [35] VARIATION OF TIGHT-BINDING PARAMETERS NEAR SURFACES
    BARRIO, RA
    DELCASTILLOMUSSOT, M
    SOLID STATE COMMUNICATIONS, 1988, 65 (08) : 775 - 777
  • [36] Modified tight-binding model for strain effects in monolayer transition metal dichalcogenides
    Peng, Zhiwei
    Guan, Zhizi
    Wang, Hongfei
    Srolovitz, David J.
    Lei, Dangyuan
    PHYSICAL REVIEW B, 2024, 109 (24)
  • [37] A comparison of linear scaling tight-binding methods
    Bowler, DR
    Aoki, M
    Goringe, CM
    Horsfield, AP
    Pettifor, DG
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 1997, 5 (03) : 199 - 222
  • [38] ATTENUATION OF ULTRASOUND IN MOLYBDENUM - TIGHT-BINDING METAL
    ALMOND, DP
    RAYNE, JA
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1975, 20 (04): : 616 - 616
  • [39] Tight-binding simulations of Nb surfaces and surface defects
    Lekka, CE
    Mehl, MJ
    Bernstein, N
    Papaconstantopoulos, DA
    PHYSICAL REVIEW B, 2003, 68 (03):
  • [40] Binding of transition-metal ions to curved π surfaces:: Corannulene and coronene
    Dunbar, RC
    JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (42): : 9809 - 9819