EFFECTS OF REPULSIVE INTERACTIONS ON BONDINGS IN YBA2CU3OX

被引:0
作者
IGUCHI, E
YONEZAWA, Y
机构
[1] Department of Mechanical Engineering and Materials Science, Faculty of Engineering, Yokohama National University, Hodogaya-ku, Yokohama, 240, Tokiwadi
关键词
D O I
10.1016/0167-2738(90)90123-9
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
The repulsive energies between ions in YBa2Cu3Ox were calculated using Wedepohl's free ion model. They were tested by using them to study cohesive energies and lattice constants of Y2O3, BaO and CuO. We have discussed the effects of repulsive interactions on bond-natures in YBa2Cu3Ox by considering similarities of bonds in these oxides to YBa2Cu3Ox and elastic constants. This compound is likely to contain some covalent contributions due to Cu-O bondings. © 1990.
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页码:795 / 798
页数:4
相关论文
共 20 条
[1]   SEMIEMPIRICAL CALCULATIONS OF IONIC POLARIZABILITIES AND VANDERWAALS POTENTIAL COEFFICIENTS FOR ALKALINE-EARTH CHALCOGENIDES [J].
BOSWARVA, IM .
PHYSICAL REVIEW B, 1970, 1 (04) :1698-&
[2]   LATTICE ENERGIES OF CUBIC ALKALINE-EARTH OXIDES - AFFINITY OF OXYGEN FOR 2 ELECTRONS [J].
CANTOR, S .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (09) :5189-5194
[3]   CALCULATIONS OF DEFECT CLUSTERING IN FE1-XO [J].
CATLOW, CRA ;
FENDER, BEF .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1975, 8 (20) :3267-3279
[4]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[5]  
DOBROVOLSKII VD, 1971, UKR KHIM ZH+, V37, P650
[6]   DEBYE TEMPERATURES OF OXIDES WITH THE NACL STRUCTURE [J].
FREER, R .
JOURNAL OF MATERIALS SCIENCE, 1981, 16 (11) :3225-3227
[7]  
Herman F., 1963, ATOMIC STRUCTURE CAL
[8]   CALCULATION OF COHESIVE ENERGY OF TI4O7 [J].
IGUCHI, E ;
MATSUSHIMA, F .
JOURNAL OF MATERIALS SCIENCE, 1986, 21 (03) :1046-1050
[9]  
IGUCHI E, 1987, JPN J APPL PHYS, V76, pL1492
[10]   CRYSTAL-STRUCTURE OF THE ORTHORHOMBIC FORM OF BA2YCU3O7-X AT 42-K [J].
IZUMI, F ;
ASANO, H ;
ISHIGAKI, T ;
TAKAYAMAMUROMACHI, E ;
UCHIDA, Y ;
WATANABE, N .
JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 1987, 26 (07) :L1193-L1196