ALKALINE EARTH IMPURITY SEGREGATION AT THE BASAL {0001} AND PRISM {10(1)over-bar0} SURFACES OF alpha-Al2O3

被引:8
作者
Kenway, P. R. [1 ]
Parker, S. C. [1 ]
Mackrodt, W. C. [2 ]
机构
[1] Univ Bath, Sch Chem, Bath BA2 7AY, Avon, England
[2] ICI Chem & Polymers Ltd, Runcorn WA7 4QD, Cheshire, England
关键词
Segregation; surfaces; alumina; alkaline earth impurities; atomistic simulation; sintering;
D O I
10.1080/08927028908021973
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
Atomistic computer simulation methods have been used to model calcium and magnesium segregation at the basal {0001} and prism {10 (1) over bar0} surfaces of alpha-Al2O3 and their interaction with charge compensating defects. The results demonstrate that segregation is surface specific, varying with temperature, impurity ion size and concentration. The variation of defect energy as a function of distance from the basal surface is also given and the results are discussed in the light of the sintering behaviour of alpha-Al2O3 doped with calcium and magnesium.
引用
收藏
页码:175 / 185
页数:11
相关论文
共 19 条
[1]   ANISOTROPIC CALCIUM SEGREGATION TO THE SURFACE OF AL2O3 [J].
BAIK, S ;
WHITE, CL .
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1987, 70 (09) :682-688
[2]   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
[3]  
Born M, 1998, DYNAMICAL THEORY CRY
[4]   PORE-GRAIN BOUNDARY INTERACTIONS AND GRAIN GROWTH [J].
BROOK, RJ .
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1969, 52 (01) :56-&
[5]   THEORY OF THE DIELECTRIC CONSTANTS OF ALKALI HALIDE CRYSTALS [J].
DICK, BG ;
OVERHAUSER, AW .
PHYSICAL REVIEW, 1958, 112 (01) :90-103
[6]  
DUFFY DM, 1984, PHILOS MAG A, V50, P143, DOI 10.1080/01418618408244218
[7]   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
[8]   ROLE OF MGO IN THE SINTERING OF ALUMINA [J].
HEUER, AH .
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1979, 62 (5-6) :317-318
[9]   TEST OF 2ND-PHASE AND IMPURITY-SEGREGATION MODELS FOR MGO-ENHANCED DENSIFICATION OF SINTERED ALUMINA [J].
JOHNSON, WC ;
COBLE, RL .
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1978, 61 (3-4) :110-114
[10]   SPACE CHARGE IN IONIC CRYSTALS .I. GENERAL APPROACH WITH APPLICATION TO NACL [J].
KLIEWER, KL ;
KOEHLER, JS .
PHYSICAL REVIEW, 1965, 140 (4A) :1226-&