CYCLIC CLUSTER CALCULATION ON THE ELECTRONIC-STRUCTURE OF ALPHA-QUARTZ AND OF ITS VACANCY

被引:13
作者
DEAK, P
GIBER, J
机构
关键词
D O I
10.1016/0375-9601(82)90237-7
中图分类号
O4 [物理学];
学科分类号
0702 ;
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页码:237 / 240
页数:4
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共 22 条
[1]   ELECTRONIC STRUCTURE OF DEFECT CENTERS IN SIO2 [J].
BENNETT, AJ ;
ROTH, LM .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1971, 32 (06) :1251-&
[2]   ELECTRONIC ENERGY-BAND STRUCTURE OF ALPHA-QUARTZ [J].
CALABRESE, E ;
FOWLER, WB .
PHYSICAL REVIEW B, 1978, 18 (06) :2888-2896
[3]   ELECTRONIC-STRUCTURE OF HG1-XCDX TE ALLOYS AND CHARGE-DENSITY CALCULATIONS USING REPRESENTATIVE K POINTS [J].
CHADI, DJ ;
COHEN, ML .
PHYSICAL REVIEW B, 1973, 7 (02) :692-699
[4]   ELECTRON-STATES IN ALPHA-QUARTZ - SELF-CONSISTENT PSEUDOPOTENTIAL CALCULATION [J].
CHELIKOWSKY, JR ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1977, 15 (08) :4020-4029
[5]   AB-INITIO CALCULATIONS ON SILICATE ION, ORTHOSILICIC ACID AND THEIR L2,3 X-RAY-SPECTRA [J].
COLLINS, GAD ;
CRUICKSH.DW ;
BREEZE, A .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 :1189-&
[6]   APPLICATION OF CYCLIC BOUNDARY-CONDITIONS IN CNDO-2 CALCULATION OF SIO2 CLUSTERS [J].
DEAK, P ;
KAZSOKI, J ;
GIBER, J .
PHYSICS LETTERS A, 1978, 66 (05) :395-397
[7]   NOTES ON THE SEMI-EMPIRICAL LUC APPROACH OF SOLIDS [J].
DEAK, P .
PHYSICS LETTERS A, 1981, 83 (01) :39-42
[8]  
DEAK P, UNPUB
[9]  
DEAK P, 1980, LECT NOTE PHYS, V122, P253
[10]  
DEAK P, 1981, ACTA PHYS HUNG, V50, P139