Adsorption-induced lattice relaxation and diffusion by concerted substitution

被引：32

作者：

Feibelman, PJ ^{[1
]}

Stumpf, R ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.59.5892

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ab initio calculations show that the barrier to surface self-diffusion by concerted substitution (CS) is lower on those transition-metal (100) surfaces where the substrate relaxation around an adatom, and the corresponding energy gain, are greater. Stress calculations contradict the notion that lower barrier CS corresponds to larger tensile stress reduction along the CS diffusion path. [S0163-1829 (99)07007-1].

引用

收藏

页码：5892 / 5897

页数：6

相关论文

共 30 条

[1] SURFACE SELF-DIFFUSION ON A FCC CRYSTAL - ATOMIC VIEW [J].

AYRAULT, G ;

EHRLICH, G .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (01) :281-294

[2] Stress relief in reconstruction [J].

Bach, CE ;

Giesen, M ;

Ibach, H ;

Einstein, TL .

PHYSICAL REVIEW LETTERS, 1997, 78 (22) :4225-4228

[3] CONTINUUM MODEL FOR SURFACE RECONSTRUCTIONS IN (111)-ORIENTED AND (100)-ORIENTED SURFACES OF FCC METALS [J].

CAMMARATA, RC .

SURFACE SCIENCE, 1992, 279 (03) :341-348

[4] DISPLACEMENT DISTRIBUTION AND ATOMIC JUMP DIRECTION IN DIFFUSION OF IR ATOMS ON THE IR(001) SURFACE [J].

CHEN, CL ;

TSONG, TT .

PHYSICAL REVIEW LETTERS, 1990, 64 (26) :3147-3150

[5] OBSERVATION OF 2 DIFFUSION MODES OF A RE-IR DIMER-VACANCY COMPLEX ON THE IR(001) SURFACE AND THEIR DIFFUSION MECHANISMS [J].

CHEN, CL ;

TSONG, TT .

PHYSICAL REVIEW LETTERS, 1994, 72 (04) :498-501

[6] DIFFUSION PATH FOR AN AL ADATOM ON AL(001) [J].

FEIBELMAN, PJ .

PHYSICAL REVIEW LETTERS, 1990, 65 (06) :729-732

[7] Reconstructions of Ir(110) and (100): An ab initio study [J].

Filippetti, A ;

Fiorentini, V .

SURFACE SCIENCE, 1997, 377 (1-3) :112-116

[8] RECONSTRUCTION MECHANISM OF FCC TRANSITION-METAL (001) SURFACES [J].

FIORENTINI, V ;

METHFESSEL, M ;

SCHEFFLER, M .

PHYSICAL REVIEW LETTERS, 1993, 71 (07) :1051-1054

[9] Energetics of surface atomic processes near a lattice step [J].

Fu, TY ;

Wu, HT ;

Tsong, TT .

PHYSICAL REVIEW B, 1998, 58 (04) :2340-2346

[10] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919