MOLECULAR CLUSTER STUDIES OF DEFECTS IN TETRAHEDRAL LATTICES - DANGLING BONDS RECONSTRUCTION AT THE CORE OF A 90-DEGREES PARTIAL DISLOCATION IN DIAMOND

被引:2
作者
BONAPASTA, AA
BATTISTONI, C
LAPICCIRELLA, A
TOMASSINI, N
ALTMANN, SL
LODGE, KW
机构
[1] IMAI, CNR, I-00016 MONTEROTONDO SCAL, ITALY
[2] UNIV OXFORD, DEPT MET & SCI MAT, OXFORD OX1 3PH, ENGLAND
关键词
D O I
10.1016/0038-1098(88)90779-X
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:245 / 250
页数:6
相关论文
共 34 条
[1]   A VALENCE FORCE-FIELD FOR THE SILICON CRYSTAL [J].
ALTMANN, SL ;
LAPICCIRELLA, A ;
LODGE, KW ;
TOMASSINI, N .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1982, 15 (27) :5581-5591
[2]   THE STACKING-FAULT ENERGY IN DIAMOND [J].
ALTMANN, SL ;
LODGE, KW ;
LAPICCIRELLA, A .
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1983, 47 (06) :827-834
[3]  
BINKLEY JS, 1980, QCPE406437 IND U PRO
[4]  
BONAPASTA AA, IN PRESS PHYS REV B
[5]  
BONAPASTA AA, 1985, IL NUOVO CIMENTO D, V6, P51
[6]   30-DEGREE PARTIAL DISLOCATIONS IN SILICON - ABSENCE OF ELECTRICALLY ACTIVE STATES [J].
CHELIKOWSKY, JR .
PHYSICAL REVIEW LETTERS, 1982, 49 (21) :1569-1572
[7]   LINE DEFECTS IN SILICON - THE 90-PERCENT PARTIAL DISLOCATION [J].
CHELIKOWSKY, JR ;
SPENCE, JCH .
PHYSICAL REVIEW B, 1984, 30 (02) :694-701
[8]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[9]   INTERSTITIAL HYDROGEN IN DIAMOND - A DETAILED HARTREE-FOCK ANALYSIS [J].
ESTREICHER, S ;
RAY, AK ;
FRY, JL ;
MARYNICK, DS .
PHYSICAL REVIEW B, 1986, 34 (09) :6071-6079
[10]   SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2769-+