CONTINUOUS RANDOM NETWORK MODELS FOR A-AS2S3

被引:32
作者
FOWLER, TG [1 ]
ELLIOTT, SR [1 ]
机构
[1] UNIV CAMBRIDGE, DEPT PHYS CHEM, CAMBRIDGE CB2 1EP, ENGLAND
关键词
AMORPHOUS ARSENIC TRISULFIDE - COMPUTER TRANSFORMATION TECHNIQUES - CONTINUOUS RANDOM NETWORK MODELS;
D O I
10.1016/S0022-3093(87)80357-5
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Computer transformation techniques have been used to generate five models of a-A//2B//3 binary systems, with differing topologies, from three existing continuous random network models. The resulting structures were energy relaxed using bond stretching, bond bending and non-bonded potentials, to yield a variety of model coordinates. The atom-atom distribution functions of these models were then calculated and compared with experimental data for a-As//2S//3. The agreement in real space was found to be good for one model in particular. Furthermore, when the data were Fourier transformed to give the interference function, it was found that the model successfully reproduced the experimental diffraction pattern, including the first diffraction peak at about 1 A** minus **1.
引用
收藏
页码:31 / 50
页数:20
相关论文
共 28 条
[1]  
[Anonymous], COMMUNICATION
[2]   TEMPERATURE-DEPENDENCE OF THE STRUCTURES OF AS2SE3 AND ASXS1-X GLASSES NEAR THE GLASS-TRANSITION [J].
BUSSE, LE .
PHYSICAL REVIEW B, 1984, 29 (06) :3639-3651
[3]   STRUCTURE OF AMORPHOUS AND GLASSY SB2S3 AND ITS CONNECTION WITH THE STRUCTURE OF AS2X3 ARSENIC-CHALCOGENIDE GLASSES [J].
CERVINKA, L ;
HRUBY, A .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1982, 48 (2-3) :231-264
[4]   STRUCTURE OF VAPOR-DEPOSITED ARSENIC SULFIDES [J].
DANIEL, MF ;
LEADBETTER, AJ ;
WRIGHT, AC ;
SINCLAIR, RN .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1979, 32 (1-3) :271-293
[5]   SYSTEMATIC GENERATION OF RANDOM NETWORKS [J].
DUFFY, MG ;
BOUDREAUX, DS ;
POLK, DE .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1974, 15 (03) :435-454
[6]   APPLICATION OF THE CONTINUOUS RANDOM NETWORK APPROACH TO THE STRUCTURE OF AMORPHOUS-GERMANIUM MONOCHALCOGENIDES [J].
FOWLER, TG ;
ELLIOTT, SR .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1982, 53 (1-2) :43-60
[7]  
FUJIWARA T, 1981, J NON-CRYST SOLIDS, V45, P371, DOI 10.1016/0022-3093(81)90057-0
[8]   REFINEMENT OF A RANDOM NETWORK MODEL FOR VITREOUS SILICON DIOXIDE [J].
GASKELL, PH ;
TARRANT, ID .
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1980, 42 (02) :265-286
[9]   AMORPHOUS ARSENIC [J].
GREAVES, GN ;
ELLIOTT, SR ;
DAVIS, EA .
ADVANCES IN PHYSICS, 1979, 28 (01) :49-141
[10]  
Guinier A, 1952, XRAY CRYSTALLOGRAPHI