MSXALPHA TOTAL ENERGY CALCULATIONS WITH NON-MUFFIN-TIN CORRECTIONS FOR OXYGEN-CHEMISORPTION ON A NICKEL (001) SURFACE

被引：17

作者：

LI, CH ^{[1
]}

CONNOLLY, JWD ^{[1
]}

机构：

[1] UNIV FLORIDA,DEPT PHYS & ASTRON,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611

来源：

SURFACE SCIENCE | 1977年 / 65卷 / 02期

关键词：

D O I：

10.1016/0039-6028(77)90475-7

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：

引用

页码：700 / 705

页数：6

共 16 条

[1] DETERMINATION OF ATOMIC POSITIONS IN C(2X2) OXYGEN STRUCTURE ON A NICKEL (100) SURFACE BY A DYNAMICAL LOW-ENERGY ELECTRON-DIFFRACTION METHOD [J].

ANDERSSON, S ;

KASEMO, B ;

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VANHOVE, MA .

PHYSICAL REVIEW LETTERS, 1973, 31 (09) :595-598

[2] INTERPRETATION OF PHOTOEMISSION SPECTRUM OF CHEMISORBED CARBON-MONOXIDE ON NI (100) [J].

BATRA, IP ;

BAGUS, PS .

SOLID STATE COMMUNICATIONS, 1975, 16 (09) :1097-1100

[3] CLUSTER MODEL CALCULATIONS FOR ELECTRONIC-ENERGY LEVELS OF OXYGEN CHEMISORBED ON NI [J].

BATRA, IP ;

ROBAUX, O .

SURFACE SCIENCE, 1975, 49 (02) :653-656

[4] STRUCTURE OF OXYGEN ADSORBED ON NI(001) AS DETERMINED BY ION SCATTERING SPECTROSCOPY [J].

BRONGERSMA, HH ;

THEETEN, JB .

SURFACE SCIENCE, 1976, 54 (02) :519-524

[5] CALCULATION OF TOTAL ENERGY IN MULTIPLE SCATTERING-X ALPHA METHOD .2. NUMERICAL TECHNIQUE AND RESULTS [J].

DANESE, JB .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) :3071-3080

[6] CALCULATION OF TOTAL ENERGY IN MULTIPLE SCATTERING-X ALPHA METHOD .1. GENERAL THEORY [J].

DANESE, JB ;

CONNOLLY, JW .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) :3063-3070

[7]

DANESE JB, TO BE PUBLISHED

[8] CHEMISORPTION BONDING OF C(2 BY 2) CHALCOGEN OVERLAYERS ON NI(001) [J].

DEMUTH, JE ;

JEPSEN, DW ;

MARCUS, PM .

PHYSICAL REVIEW LETTERS, 1973, 31 (08) :540-542

[9] SURFACE-STRUCTURE DETERMINATION BY LOW-ENERGY ELECTRON-DIFFRACTION [J].

DUKE, CB ;

LIPARI, NO ;

LARAMORE, GE .

NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA B-GENERAL PHYSICS RELATIVITY ASTRONOMY AND MATHEMATICAL PHYSICS AND METHODS, 1974, B 23 (01) :241-269

[10] STRUCTURE OF C(2X2) OVERLAYERS OF SULFUR ON NI(100) [J].

DUKE, CB ;

LIPARI, NO ;

LARAMORE, GE ;

THEETEN, JB .

SOLID STATE COMMUNICATIONS, 1973, 13 (05) :579-583

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