1ST-PRINCIPLES TOTAL-ENERGY CALCULATION FOR A SINGLE ADATOM ON A CRYSTAL

被引:29
作者
FEIBELMAN, PJ
机构
关键词
D O I
10.1103/PhysRevLett.54.2627
中图分类号
O4 [物理学];
学科分类号
0702 ;
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页码:2627 / 2630
页数:4
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共 17 条
[1]   PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].
BACHELET, GB ;
HAMANN, DR ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228
[2]   NEW SELF-CONSISTENT APPROACH TO THE ELECTRONIC-STRUCTURE OF LOCALIZED DEFECTS IN SOLIDS [J].
BARAFF, GA ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1979, 19 (10) :4965-4979
[3]   THEORY OF ENHANCED MIGRATION OF INTERSTITIAL ALUMINUM IN SILICON [J].
BARAFF, GA ;
SCHLUTER, M ;
ALLAN, G .
PHYSICAL REVIEW LETTERS, 1983, 50 (10) :739-742
[4]   SCATTERING-THEORETIC METHOD FOR DEFECTS IN SEMICONDUCTORS .2. SELF-CONSISTENT FORMULATION AND APPLICATION TO THE VACANCY IN SILICON [J].
BERNHOLC, J ;
LIPARI, NO ;
PANTELIDES, ST .
PHYSICAL REVIEW B, 1980, 21 (08) :3545-3562
[5]   SELF-CONSISTENT CLUSTER CALCULATIONS WITH CORRECT EMBEDDING FOR 3D, 4D, AND SOME SP IMPURITIES IN COPPER [J].
BRASPENNING, PJ ;
ZELLER, R ;
LODDER, A ;
DEDERICHS, PH .
PHYSICAL REVIEW B, 1984, 29 (02) :703-718
[6]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[8]  
FEIBELMAN PJ, UNPUB
[9]   THEORY OF ATOMIC CHEMISORPTION ON SIMPLE METALS [J].
LANG, ND ;
WILLIAMS, AR .
PHYSICAL REVIEW B, 1978, 18 (02) :616-636
[10]  
Lundqvist S., 1983, THEORY INHOMOGENEOUS