ATOMISTIC SIMULATION OF OXIDE SURFACES

被引：86
作者：
MACKRODT, WC
机构：
来源：
PHYSICS AND CHEMISTRY OF MINERALS | 1988年 / 15卷 / 03期
关键词：
D O I：
10.1007/BF00307511
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
收藏
页码：228 / 237
页数：10
相关论文
共 23 条
[1]   SEGREGATION OF MG TO THE (0001) SURFACE OF DOPED SAPPHIRE [J].
BAIK, S ;
FOWLER, DE ;
BLAKELY, JM ;
RAJ, R .
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1985, 68 (05) :281-286
[2]   SHELL AND BREATHING SHELL-MODEL CALCULATIONS FOR DEFECT FORMATION ENERGIES AND VOLUMES IN MAGNESIUM-OXIDE [J].
CATLOW, CRA ;
FAUX, ID ;
NORGETT, MJ .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1976, 9 (03) :419-429
[3]  
CATLOW CRA, 1982, COMPUTER SIMULATION, P3
[4]   THE INFLUENCE OF IMPURITY POLARIZABILITY AND UNIT-CELL SIZE ON THE SEGREGATION OF CA2+, SR2+ AND BA2+ AT THE (001) SURFACE OF MGO [J].
COLBOURN, EA ;
MACKRODT, WC ;
TASKER, PW .
PHYSICA B & C, 1985, 131 (1-3) :41-45
[5]   THEORY OF THE DIELECTRIC CONSTANTS OF ALKALI HALIDE CRYSTALS [J].
DICK, BG ;
OVERHAUSER, AW .
PHYSICAL REVIEW, 1958, 112 (01) :90-103
[6]   VACANCY FORMATION ENERGIES NEAR THE SURFACE OF AN IONIC-CRYSTAL [J].
DUFFY, DM ;
HOARE, JP ;
TASKER, PW .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1984, 17 (07) :L195-L199
[7]   THE ATTACHMENT ENERGY AS A HABIT CONTROLLING FACTOR .3. APPLICATION TO CORUNDUM [J].
HARTMAN, P .
JOURNAL OF CRYSTAL GROWTH, 1980, 49 (01) :166-170
[8]   THE SURFACES OF METAL-OXIDES [J].
HENRICH, VE .
REPORTS ON PROGRESS IN PHYSICS, 1985, 48 (11) :1481-1541
[9]   DEFECT PROPERTIES OF IONIC SOLIDS .2. POINT-DEFECT ENERGIES BASED ON MODIFIED ELECTRON-GAS POTENTIALS [J].
MACKRODT, WC ;
STEWART, RF .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (03) :431-449
[10]   DEFECT PROPERTIES OF IONIC SOLIDS .1. POINT-DEFECTS AT SURFACES OF FACE-CENTERED CUBIC-CRYSTALS [J].
MACKRODT, WC ;
STEWART, RF .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (09) :1431-1446
123