THEORY OF THE OXYGEN-INDUCED RESTRUCTURING OF CU(110) AND CU(100) SURFACES

被引：136

作者：

JACOBSEN, KW

NORSKOV, JK

机构：

[1] Laboratory of Applied Physics, Technical University of Denmark

来源：

PHYSICAL REVIEW LETTERS | 1990年 / 65卷 / 14期

关键词：

D O I：

10.1103/PhysRevLett.65.1788

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A model calculation based on the effective-medium theory of the oxygen-induced reconstruction of the (110) and (100) surfaces of Cu is presented. Equilibrium structures are calculated from a minimization of the total energy of the system. Missing-row-type reconstructions are found to be most stable in both cases, and an analysis is presented, showing what the driving force is behind these reconstructions. © 1990 The American Physical Society.

引用

收藏

页码：1788 / 1791

页数：4

相关论文

共 30 条

[1] EXPLICIT, 1ST-PRINCIPLES TIGHT-BINDING THEORY [J].

ANDERSEN, OK ;

JEPSEN, O .

PHYSICAL REVIEW LETTERS, 1984, 53 (27) :2571-2574

[2] ELECTRONIC-STRUCTURE OF CU(111) SURFACE [J].

APPELBAUM, JA ;

HAMANN, DR .

SOLID STATE COMMUNICATIONS, 1978, 27 (09) :881-883

[3] SURFACE EXTENDED X-RAY-ABSORPTION FINE-STRUCTURE STUDY OF THE O(2X1)/CU(110) SYSTEM - MISSING-ROW RECONSTRUCTION, AND ANISOTROPY IN THE SURFACE MEAN FREE-PATH AND IN THE SURFACE DEBYE-WALLER FACTOR [J].

BADER, M ;

PUSCHMANN, A ;

OCAL, C ;

HAASE, J .

PHYSICAL REVIEW LETTERS, 1986, 57 (26) :3273-3276

[4]

BESENBACHER F, IN PRESS

[5] RECONSTRUCTION OF THE OXYGEN-COVERED CU(110) SURFACE IDENTIFIED WITH LOW-ENERGY NE+ AND H2O+ ION-SCATTERING [J].

BRONCKERS, RPN ;

DEWIT, AGJ .

SURFACE SCIENCE, 1981, 112 (1-2) :133-152

[6] OXYGEN-CHEMISORPTION ON CU(110) - AN ATOMIC VIEW BY SCANNING TUNNELING MICROSCOPY [J].

CHUA, FM ;

KUK, Y ;

SILVERMAN, PJ .

PHYSICAL REVIEW LETTERS, 1989, 63 (04) :386-389

[7]

COULMAN DJ, IN PRESS

[8] AN ANGLE-RESOLVED UPS STUDY OF THE OXYGEN-INDUCED RECONSTRUCTION OF CU(110) [J].

DIDIO, RA ;

ZEHNER, DM ;

PLUMMER, EW .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1984, 2 (02) :852-855

[9] STRUCTURE OF C(2X2) OXYGEN ON CU(100) - A SURFACE EXTENDED X-RAY ABSORPTION FINE-STRUCTURE STUDY [J].

DOBLER, U ;

BABERSCHKE, K ;

STOHR, J ;

OUTKA, DA .

PHYSICAL REVIEW B, 1985, 31 (04) :2532-2534

[10] AZIMUTHAL-ANGLE-DEPENDENT AND POLAR-ANGLE-DEPENDENT SURFACE EXTENDED X-RAY ABSORPTION FINE-STRUCTURE STUDY - (2X1)O ON CU(110) [J].

DOBLER, U ;

BABERSCHKE, K ;

HAASE, J ;

PUSCHMANN, A .

PHYSICAL REVIEW LETTERS, 1984, 52 (16) :1437-1440