ADSORPTION ENERGETICS - 1ST PRINCIPLES CALCULATIONS OF ADATOM INTERACTIONS AND INDUCED LOCAL LATTICE-RELAXATION

被引：2

作者：

FEIBELMAN, PJ

机构：

[1] Sandia National Laboratories, Albuquerque, New Mexico

来源：

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS | 1990年 / 8卷 / 03期

关键词：

D O I：

10.1116/1.576733

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Insight gained from the use of the first principles scattering theory of adsorption energetics is reviewed. Applications include the interaction and diffusion of two adsorbed A1 atoms on Al(001) the interaction of an Al-S dimer on A1 (001) and the nature of the local lattice relaxation induced by adsorption of on the same surface. © 1990, American Vacuum Society. All rights reserved.

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页码：2548 / 2551

页数：4

相关论文

共 18 条

[1] PAIR INTERACTION OF METAL ATOMS ON A METAL-SURFACE [J].

CASANOVA, R ;

TSONG, TT .

PHYSICAL REVIEW B, 1980, 22 (12) :5590-5598

[2] EMBEDDED-ATOM METHOD - DERIVATION AND APPLICATION TO IMPURITIES, SURFACES, AND OTHER DEFECTS IN METALS [J].

DAW, MS ;

BASKES, MI .

PHYSICAL REVIEW B, 1984, 29 (12) :6443-6453

[3] LATTICE-RELAXATION NEAR ISOLATED ADSORBATES [J].

FEIBELMAN, PJ .

PHYSICAL REVIEW LETTERS, 1989, 63 (22) :2488-2491

[4] FORCE AND TOTAL-ENERGY CALCULATIONS FOR A SPATIALLY COMPACT ADSORBATE ON AN EXTENDED, METALLIC CRYSTAL-SURFACE [J].

FEIBELMAN, PJ .

PHYSICAL REVIEW B, 1987, 35 (06) :2626-2646

[5] INTERACTION BETWEEN ADSORBED CHALCOGEN AND AL ATOMS ON AL(001) [J].

FEIBELMAN, PJ .

PHYSICAL REVIEW B, 1988, 38 (17) :12133-12138

[6] REBONDING EFFECTS IN SEPARATION AND SURFACE-DIFFUSION BARRIER ENERGIES OF AN ADATOM PAIR [J].

FEIBELMAN, PJ .

PHYSICAL REVIEW LETTERS, 1987, 58 (26) :2766-2769

[7]

FEIBELMAN PJ, 1989, ANNU REV PHYS CHEM, V40, P261

[8] SURFACE DIFFUSION OF ATOM CLUSTERS [J].

GRAHAM, WR ;

EHRLICH, G .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1974, 4 (10) :L212-&

[9] MODIFIED BROYDEN METHOD FOR ACCELERATING CONVERGENCE IN SELF-CONSISTENT CALCULATIONS [J].

JOHNSON, DD .

PHYSICAL REVIEW B, 1988, 38 (18) :12807-12813

[10] CHEMISORPTION - ISLAND FORMATION AND ADATOM INTERACTIONS [J].

LAGALLY, MG ;

WANG, GC ;

LU, TM .

CRC CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 1978, 7 (03) :233-259