ELECTRONIC THEORY OF SURFACE SEGREGATION IN TRANSITION-METAL ALLOYS

被引：6

作者：

BREJNAK, M

KUDRNOVSKY, J

MODRAK, P

机构：

[1] CZECHOSLOVAK ACAD SCI, INST PHYS, CS-11142 PRAGUE 1, CZECH REPUBLIC

[2] VIENNA TECH UNIV, INST ELECTROCHEM, A-1040 VIENNA, AUSTRIA

来源：

SURFACE SCIENCE | 1994年 / 307卷

关键词：

D O I：

10.1016/0039-6028(94)91498-2

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：

The surface segregation effect in transition metal alloys is described with the use of the tight-binding linear-muffin-tin orbital method in the coherent potential approximation to calculate the band contribution to the alloy free energy. The resulting segregation curves for NiCo, PtIr, PtRh and AuAg alloys obtained using different approaches are compared with available experimental data.

引用

页码：821 / 825

页数：5

共 36 条

[1] SELF-CONSISTENT LINEAR-MUFFIN-TIN-ORBITALS COHERENT-POTENTIAL TECHNIQUE FOR BULK AND SURFACE CALCULATIONS - CU-NI, AG-PD, AND AU-PT RANDOM ALLOYS [J].