X-ray diffraction investigation on Cu2ZnSiSe4 single and polycrystalline crystals

被引：12

作者：

Gurieva, Galina ^{[1
]}

Levcenko, Sergiu ^{[1
]}

Kravtsov, Victor Ch. ^{[2
]}

Nateprov, Alexander ^{[2
]}

Irran, Elisabeth ^{[3
]}

Huang, Ying-Sheng ^{[4
]}

Arushanov, Ernest ^{[2
]}

Schorr, Susan ^{[1
,5
]}

机构：

[1] Helmholtz Zentrum Berlin Mat & Energie GmbH, D-14109 Berlin, Germany

[2] Moldavian Acad Sci, Inst Appl Phys, Kishinev 2028, MD, Moldova

[3] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany

[4] Natl Taiwan Univ Sci & Technol, Dept Elect Engn, Taipei 106, Taiwan

[5] Free Univ Berlin, Inst Geowissensch, D-12249 Berlin, Germany

来源：

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS | 2015年 / 230卷 / 08期

关键词：

Cu2ZnSiSe4; single crystal; X-ray diffraction;

D O I：

10.1515/zkri-2014-1825

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Cu2ZnSiSe4 belong to the adamantine family of quaternary chalcogenides crystallizing in the wurtzstannite structure. Recent ab-initio calculations show, that the lowest energy structure of Cu2ZnSiSe4 is the wurtzkesterite type structure in contrast to wurtzstannite type, usually obtained in experiments. To clarify this issue a structural study on single crystals of Cu2ZnSiSe4 was performed for the first time. The structural characterization of the single crystals was carried out by X-ray diffraction at two different temperatures - room temperature and 150 K. The XRD data analysis shows, that Cu2ZnSiSe4 single crystals adopt the orthorhombic wurtzstannite type structure (space group Pmn2(1)) and lattice parameters a = 7.809 angstrom, b = 6.778 angstrom, c = 6.447 angstrom at 150 K, and lattice parameters a = 7.821 angstrom, b = 6.734 angstrom, c = 6.453 angstrom at room temperature were derived. The structural parameters were confirmed for the polycrystalline Cu2ZnSiSe4 bulk sample.

引用

页码：507 / 511

页数：5

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