A CNDO CALCULATION OF ELECTRON AND HOLE DEFECTS IN A MIXED HALIDE ALKALINE-EARTH CRYSTAL

被引:4
作者
BAETZOLD, RC
机构
关键词
D O I
10.1016/0079-6816(87)90060-8
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
收藏
页码:213 / 219
页数:7
相关论文
共 16 条
[1]  
BAETZOLD RC, UNPUB
[2]  
BAETZOLD RC, 1986, 5TH P EUR TOP C LATT
[3]   SELF-TRAPPED HOLE (VK CENTER) IN NACL-TYPE ALKALI-HALIDES - LATTICE-RELAXATION AND OPTICAL-PROPERTIES FOR MX-X2- SYSTEMS [J].
CADE, PE ;
STONEHAM, AM ;
TASKER, PW .
PHYSICAL REVIEW B, 1984, 30 (08) :4621-4639
[4]   RADIATION-DAMAGE AND PHOTOCHROMISM IN THE ALKALINE-EARTH FLUORIDES [J].
CATLOW, CRA .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (06) :969-988
[5]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[6]  
HARKER AH, 1979, AERE R8598 HARW REP
[7]  
HAYES W, 1974, CRYSTALS FLUORINE ST
[8]   SEMIEMPIRICAL MOLECULAR-ORBITAL TREATMENT OF U BAND IN LIF-H- [J].
HAYNS, MR .
PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (02) :697-+
[9]   INITIAL PRODUCTION OF DEFECTS IN ALKALI-HALIDES - F AND H CENTER PRODUCTION BY NON-RADIATIVE DECAY OF SELF-TRAPPED EXCITON [J].
ITOH, N ;
STONEHAM, AM ;
HARKER, AH .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (21) :4197-4209
[10]   THEORY OF SELF-TRAPPED HOLE IN CAF2 [J].
JETTE, AN ;
DAS, TP .
PHYSICAL REVIEW, 1969, 186 (03) :919-&