ELECTRONIC-STRUCTURE OF THE MO(001) SURFACE

被引：5

作者：

HONG, SC ^{[1
]}

CHUNG, JW ^{[1
]}

机构：

[1] POHANG INST SCI & TECHNOL,BASIC SCI RES CTR,POHANG 790330,SOUTH KOREA

来源：

PHYSICAL REVIEW B | 1993年 / 48卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.48.4755

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report computed results of the surface band structures of a molybdenum (001) surface by employing a Self-consistent semirelativistic version of the full potential linearized augmented-plane-wave method. Computation was carried out for a seven-layer slab of bulk-truncated (1 X 1) Mo(001) surface, ignoring the spin-orbit interaction. The resulting surface band structures are compared with recent experimental measurements at temperatures above and below a transition temperature. Despite general agreement with observation, we noted some characteristic differences in both energy and band connectivity. Details in both the electronic properties of surface states and resonances are examined and discussed in light of their significance for reconstruction mechanism.

引用

页码：4755 / 4759

页数：5

共 22 条

[1] SURFACE BANDS OF (001) SURFACE OF MOLYBDENUM [J].

BERTONI, CM ;

CALANDRA, C ;

MANGHI, F .

SOLID STATE COMMUNICATIONS, 1977, 23 (04) :255-259

[2] COUPLING OF SURFACE ELECTRONIC STATES THROUGH THE W(001) PHASE-TRANSITION [J].

CAMPUZANO, JC ;

KING, DA ;

SOMERTON, C ;

INGLESFIELD, JE .

PHYSICAL REVIEW LETTERS, 1980, 45 (20) :1649-1652

[3] SURFACE-STATES ON W [001] (1X1) AND (SQUARE-ROOT 2 X SQUARE-ROOT 2)R45-DEGREES PHASES - ANGLE-RESOLVED PHOTOEMISSION [J].

CAMPUZANO, JC ;

INGLESFIELD, JE ;

KING, DA ;

SOMERTON, C .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1981, 14 (21) :3099-3113

[4] EVIDENCE FOR THE ORIGIN OF RECONSTRUCTION OF THE MO(001) SURFACE [J].

CHUNG, JW ;

SHIN, KS ;

BAEK, DH ;

KIM, CY ;

KIM, HW ;

LEE, SK ;

PARK, CY ;

HONG, SC ;

KINOSHITA, T ;

WATANABE, M ;

KAKIZAKI, A ;

ISHII, T .

PHYSICAL REVIEW LETTERS, 1992, 69 (15) :2228-2231

[5] SPACE-GROUP DETERMINATION OF LOW-TEMPERATURE W(001)(SQUARE ROOT 2X SQUARE ROOT 2) SURFACE-STRUCTURE BY LOW-ENERGY-ELECTRON DIFFRACTION [J].

DEBE, MK ;

KING, DA .

PHYSICAL REVIEW LETTERS, 1977, 39 (11) :708-711

[6] PHASE-TRANSITION ON MO(100) AND W(100) SURFACES [J].

FELTER, TE ;

BARKER, RA ;

ESTRUP, PJ .

PHYSICAL REVIEW LETTERS, 1977, 38 (20) :1138-1141

[7] ION-SCATTERING STUDY OF THE RECONSTRUCTION OF MO(100) [J].

HILDNER, ML ;

DALEY, RS ;

FELTER, TE ;

ESTRUP, PJ .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1991, 9 (03) :1604-1609

[8] ELECTRONIC SUSCEPTIBILITY AND THE MO (001) SURFACE PHASE-TRANSITION [J].

INGLESFIELD, JE .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (01) :149-165

[9] MO(001) SURFACE - SELF-CONSISTENT CALCULATION OF ELECTRONIC-STRUCTURE [J].

KERKER, GP ;

HO, KM ;

COHEN, ML .

PHYSICAL REVIEW LETTERS, 1978, 40 (24) :1593-1596

[10] EVIDENCE FOR POSSIBLE ELECTRONIC CONTRIBUTIONS TO THE W(001) SURFACE PHASE-TRANSITION [J].

KRAKAUER, H ;

POSTERNAK, M ;

FREEMAN, AJ .

PHYSICAL REVIEW LETTERS, 1979, 43 (25) :1885-1889

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