Rietveld refinement for CuInSe2 and CuIn3Se5

被引：56
|
作者：
Paszkowicz, W
Lewandowska, R
Bacewicz, R
机构：
[1] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland
[2] Tech Univ Warsaw, Fac Phys, PL-00662 Warsaw, Poland
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 2004年 / 362卷 / 1-2期
关键词：
semiconductors; crystal growth; crystal structure and symmetry; X-ray diffraction;
D O I：
10.1016/S0925-8388(03)00592-9
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：
Rietveld refinements for copper indium selenides CuInSe2 and CuIn3Se5 and their mixture were performed using data collected at a Bragg-Brentano diffractometer. The values of lattice parameters, axial ratio and positional parameters are discussed and compared to available literature data for single crystals and polycrystals. Results for CuInSe2 give a(0) = 5.78149(1) Angstrom and c(0) = 11.61879(4) Angstrom. The positional parameter x is determined to be equal 0.2271(4). Refinements for CuIn3Se5 give an indication concerning the choice of a structural model for this compound. Namely, the best fit is obtained for a model based on 1 (4) over bar 2m space group, yielding a composition close to the experimental one and the lattice parameters a(0) = 5.75812(2) Angstrom and c(0) = 11.53593(7) Angstrom. Parameters of this model are discussed. (C) 2003 Elsevier B.V. All rights reserved.
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页码：241 / 247
页数：7
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