THE ELECTRONIC-STRUCTURE OF CRYSTALLINE LEAD-OXIDES .1. CRYSTAL-STRUCTURE AND LUC-CNDO CALCULATIONS

被引:14
作者
EVARESTOV, RA
VERYAZOV, VA
机构
来源
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1991年 / 165卷 / 02期
关键词
D O I
10.1002/pssb.2221650210
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The crystalline structure of lead oxides is rewieved. In the framework of LUC-CNDO computational scheme the electronic structure of PbO, PbO2, Pb2O3, and Pb3O4 crystals is investigated. The results obtained are compared with experimental data.
引用
收藏
页码:401 / 410
页数:10
相关论文
共 25 条
[2]   QUADRATIC PBO-ALPHA MONOXIDE .1. DESCRIPTION OF THE FERROELASTIC STRUCTURAL TRANSITION [J].
BOHER, P ;
GARNIER, P ;
GAVARRI, JR ;
HEWAT, AW .
JOURNAL OF SOLID STATE CHEMISTRY, 1985, 57 (03) :343-350
[3]   SELF-CONSISTENT ENERGY-BAND STRUCTURE OF TETRAGONAL LEAD-OXIDE [J].
BORDOVSKII, GA ;
GORDEEV, NL ;
ERMOSHKIN, AN ;
IZVOZCHIKOV, VA ;
EVARESTOV, RA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1983, 115 (01) :K15-K19
[4]   ENERGY-BAND STRUCTURE OF RHOMBIC LEAD MONOXIDE [J].
BORDOVSKII, GA ;
GORDEEV, ML ;
ERMOSHKIN, AN ;
IZVOZCHIKOV, VA ;
EVARESTOV, RA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1982, 111 (02) :K123-K127
[5]   LEAD SESQUIOXIDE, PB203 .1. DETERMINATION OF STRUCTURE [J].
BOUVAIST, J ;
WEIGEL, D .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 :501-&
[6]  
BREEZE A, 1980, REV ROUM CHIM, V25, P667
[7]  
Brown I.D., 1981, STRUCTURE BONDING CR, V2
[8]   BOND-VALENCE PARAMETERS OBTAINED FROM A SYSTEMATIC ANALYSIS OF THE INORGANIC CRYSTAL-STRUCTURE DATABASE [J].
BROWN, ID ;
ALTERMATT, D .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1985, 41 (AUG) :244-247
[9]  
CLEMENTI E, 1974, ATOMIC DATA NUCLEAR, V14, P197
[10]   THE ELECTRONIC-STRUCTURE OF COPPER-OXIDE CRYSTALLINE COMPOUNDS .2. CHEMICAL BONDING IN COPPER OXYGEN CRYSTALS [J].
EVARESTOV, RA ;
VERYAZOV, VA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1990, 158 (01) :201-212