ABINITIO CLUSTER-MODEL STUDY OF THE ON-TOP CHEMISORPTION OF F AND CL ON SI(111) AND GE(111) SURFACES

被引：42

作者：

ILLAS, F ^{[1
]}

RUBIO, J ^{[1
]}

RICART, JM ^{[1
]}

机构：

[1] UNIV BARCELONA,FAC QUIM,DEPT QUIM FIS,E-08028 BARCELONA,SPAIN

来源：

PHYSICAL REVIEW B | 1985年 / 31卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.31.8068

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：8068 / 8075

页数：8

共 29 条

[1]

APPELBAUM JA, 1976, PHYS REV LETT, V31, P103

[2] STRUCTURAL DETERMINATION OF CL-CHEMISORPTION ON SI[111] AND GE[111] BY TOTAL-ENERGY MINIMIZATION [J].

BACHELET, GB ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1983, 28 (04) :2302-2304

[3] THE CONVERGENCE OF THE CLUSTER MODEL FOR THE STUDY OF CHEMISORPTION - BE36H [J].

BAGUS, PS ;

SCHAEFER, HF ;

BAUSCHLICHER, CW .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (03) :1390-1395

[4] SURFACE RELAXATION AND RECONSTRUCTION IN DIAMOND-LIKE CRYSTALS [J].

BARONE, V ;

LELJ, F ;

RUSSO, N ;

ABBATE, G .

SOLID STATE COMMUNICATIONS, 1984, 49 (09) :925-928

[5] MODEL STUDY IN CHEMISORPTION - MOLECULAR-ORBITAL CLUSTER THEORY FOR ATOMIC-HYDROGEN ON BE(0001) [J].

BAUSCHLICHER, CW ;

BAGUS, PS ;

SCHAEFER, HF .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1978, 22 (03) :213-234

[6] MIXED BASIS SET CALCULATIONS FOR ATOMIC-HYDROGEN ON BERYLLIUM(0001) [J].

BAUSCHLICHER, CW ;

BAGUS, PS .

CHEMICAL PHYSICS LETTERS, 1982, 90 (05) :355-358

[7] UNCONDITIONAL CONVERGENCE IN SCF THEORY - GENERAL LEVEL SHIFT TECHNIQUE [J].

CARBO, R ;

HERNANDEZ, JA ;

SANZ, F .

CHEMICAL PHYSICS LETTERS, 1977, 47 (03) :581-583

[8] EMPIRICAL EQUATIONS FOR THE BOND-ENERGIES AND VIBRATIONAL FREQUENCIES OF CHEMISORPTIVE BONDS ON SURFACES [J].

CHANG, CA .

CHEMICAL PHYSICS LETTERS, 1982, 91 (04) :277-279

[9] DIRECT STRUCTURAL STUDY OF CL ON SI[111] AND GE[111] SURFACES - NEW CONCLUSIONS [J].

CITRIN, PH ;

ROWE, JE ;

EISENBERGER, P .

PHYSICAL REVIEW B, 1983, 28 (04) :2299-2301

[10]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

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