High-pressure behavior of disodered kesterite-type Cu2ZnSnS4

被引：5

作者：

Efthimiopoulos, Ilias ^{[1
,2
]}

Kullmey, Tim ^{[3
]}

Speziale, Sergio ^{[1
]}

Pakhomova, Anna S. ^{[4
]}

Quennet, Marcel ^{[3
]}

Paulus, Beate ^{[3
]}

Ritscher, Anna ^{[5
,6
]}

Lerch, Martin ^{[6
]}

机构：

[1] GFZ German Res Ctr Geosci Telegrafenberg, D-14473 Potsdam, Germany

[2] Univ Greifswald, Inst Phys, Felix Hausdorff Str 6, D-17489 Greifswald, Germany

[3] Free Univ Berlin, Inst Chem & Biochem, Takustr 3, D-14195 Berlin, Germany

[4] DESY, PETRA III, D-22607 Hamburg, Germany

[5] Helmholtz Zentrum Berlin Mat & Energie, Hahn Meitner Pl 1, D-14109 Berlin, Germany

[6] Tech Univ Berlin, Inst Chem, Str 17,Juni 135, D-10623 Berlin, Germany

来源：

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING | 2021年 / 127卷 / 08期

关键词：

Kesterite; Pressure; Structure; XRD; Raman; ORDER-DISORDER TRANSITION; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; RAMAN-SCATTERING; FINITE STRAIN; SINGLE-CRYSTAL; SOLAR-CELLS; STATE; SPECTROSCOPY; EFFICIENCY;

D O I：

10.1007/s00339-021-04745-w

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have investigated the high-pressure structural and vibrational behavior of the disordered kesterite-type Cu2ZnSnS4 compound at ambient temperature. Our experimental and theoretical investigations have revealed a clear structural transition to a GeSb-type phase close to 15 GPa, a tetragonally distorted variant of the NaCl-type phase. The latter transformation is accompanied by a cationic coordination increase from fourfold to sixfold with respect to the sulfur anions. In addition, a change in the compressibility rate was detected at about 8 GPa within the pressure stability range of the disordered kesterite-type phase. Upon decompression, a disordered zinc blende/sphalerite structure is recovered. We discuss our findings in close conjunction with our recent high-pressure work on the ordered Cu2ZnSnS4 modification.

引用

页数：11

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