TOTAL ENERGY AND STRESS OF METAL AND SEMICONDUCTOR SURFACES

被引:173
作者
PAYNE, MC [1 ]
ROBERTS, N [1 ]
NEEDS, RJ [1 ]
NEEDELS, M [1 ]
JOANNOPOULOS, JD [1 ]
机构
[1] MIT, CAMBRIDGE, MA 02139 USA
关键词
D O I
10.1016/0039-6028(89)90748-6
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
引用
收藏
页码:1 / 20
页数:20
相关论文
共 32 条
[1]   WRINKLING OF A FREE-SURFACE [J].
ANDREUSSI, F ;
GURTIN, ME .
JOURNAL OF APPLIED PHYSICS, 1977, 48 (09) :3798-3799
[2]   UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474
[3]   ATOMIC AND ELECTRONIC-STRUCTURES OF RECONSTRUCTED SI(100) SURFACES [J].
CHADI, DJ .
PHYSICAL REVIEW LETTERS, 1979, 43 (01) :43-47
[4]   AU SURFACE RECONSTRUCTIONS IN THE GLUE MODEL [J].
ERCOLESSI, F ;
BARTOLINI, A ;
GAROFALO, M ;
PARRINELLO, M ;
TOSATTI, E .
SURFACE SCIENCE, 1987, 189 :636-640
[5]   ONE-DIMENSIONAL DISLOCATIONS .2. MISFITTING MONOLAYERS AND ORIENTED OVERGROWTH [J].
FRANK, FC ;
VANDERMERWE, JH .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1949, 198 (1053) :216-225
[6]  
GOSSMANN HJ, 1985, PHYS REV LETT, V55
[7]   NORM-CONSERVING PSEUDOPOTENTIALS [J].
HAMANN, DR ;
SCHLUTER, M ;
CHIANG, C .
PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497
[8]   SCANNING TUNNELING MICROSCOPY OF SI(001) [J].
HAMERS, RJ ;
TROMP, RM ;
DEMUTH, JE .
PHYSICAL REVIEW B, 1986, 34 (08) :5343-5357
[9]   OBSERVATION OF A SOLITON RECONSTRUCTION OF AU(111) BY HIGH-RESOLUTION HELIUM-ATOM DIFFRACTION [J].
HARTEN, U ;
LAHEE, AM ;
TOENNIES, JP ;
WOLL, C .
PHYSICAL REVIEW LETTERS, 1985, 54 (24) :2619-2622
[10]  
HEINE V, 1976, SOLID STATE PHYS, V24, P37