ORIGINS OF SURFACE ALLOY FORMATION - CU(001)C(2X2)-PD AS A CASE-STUDY

被引：38

作者：

KUDRNOVSKY, J ^{[1
]}

BOSE, SK ^{[1
]}

DRCHAL, V ^{[1
]}

机构：

[1] BROCK UNIV, DEPT PHYS, ST CATHARINES L2S 3A1, ONTARIO, CANADA

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 69卷 / 02期

关键词：

D O I：

10.1103/PhysRevLett.69.308

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a rigorous theoretical treatment which, in agreement with recent experiments, supports the formation of the ordered c(2x2) phase of the CuPd surface alloy on the Cu(001) substrate, and does not support the formation of an ordered overlayer of only Pd atoms on such a substrate. Based on ab initio electronic structure of random CuPd and Pd-vacancy overlayers, we study their stability against ordering using the generalized perturbation method adapted to strongly inhomogeneous systems. The approach, the first of its kind, is general and can be applied to other metal-on-metal overlayers.

引用

页码：308 / 311

页数：4

共 24 条

[1] OVERVIEW .54. SEGREGATION AND ORDER IN BINARY SUBSTITUTIONAL TRANSITION-METAL ALLOYS .1. HOMOGENEOUS ORDERED STRUCTURES IN THE GROUND-STATE - GENERAL TRENDS [J].

BIEBER, A ;

GAUTIER, F .

ACTA METALLURGICA, 1986, 34 (12) :2291-2309

[2]

DRCHAL V, IN PRESS PHYS REV B

[3] GENERALIZED PERTURBATION-THEORY IN DISORDERED TRANSITIONAL ALLOYS - APPLICATION TO CALCULATION OF ORDERING ENERGIES [J].

DUCASTELLE, F ;

GAUTIER, F .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1976, 6 (11) :2039-2062

[4]

DUCASTELLE F, 1989, ALLOY PHASE STABILIT, P293

[5] CONFIGURATIONAL ENERGIES AND EFFECTIVE CLUSTER INTERACTIONS IN SUBSTITUTIONALLY DISORDERED BINARY-ALLOYS [J].

GONIS, A ;

ZHANG, XG ;

FREEMAN, AJ ;

TURCHI, P ;

STOCKS, GM ;

NICHOLSON, DM .

PHYSICAL REVIEW B, 1987, 36 (09) :4630-4646

[6]

GRAHAM GW, 1986, SURF SCI, V171, pL432, DOI 10.1016/0039-6028(86)90556-X

[7] GROWTH OF RH, PD, AND PT FILMS ON CU(100) [J].

GRAHAM, GW ;

SCHMITZ, PJ ;

THIEL, PA .

PHYSICAL REVIEW B, 1990, 41 (06) :3353-3359

[8] CONCENTRATION WAVES AND FERMI SURFACES IN RANDOM METALLIC ALLOYS [J].

GYORFFY, BL ;

STOCKS, GM .

PHYSICAL REVIEW LETTERS, 1983, 50 (05) :374-377

[9] MAGNETIC, CHEMICAL AND STRUCTURAL ORDERING IN TRANSITION-METALS [J].

HEINE, V ;

SAMSON, JH .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (10) :2155-2168

[10]

Khachaturyan AG., 1983, THEORY STRUCTURAL TR

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