Atomic-scale structure, cation distribution, and bandgap bowing in Cu(In,Ga)S2 and Cu(In,Ga)Se2

被引：18

作者：

Eckner, S. ^{[1
]}

Kaemmer, H. ^{[1
]}

Steinbach, T. ^{[1
]}

Gnauck, M. ^{[1
]}

Johannes, A. ^{[1
]}

Stephan, C. ^{[2
]}

Schorr, S. ^{[2
]}

Schnohr, C. S. ^{[1
]}

机构：

[1] Univ Jena, Inst Festkorperphys, D-07743 Jena, Germany

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

来源：

APPLIED PHYSICS LETTERS | 2013年 / 103卷 / 08期

关键词：

CHALCOPYRITE SEMICONDUCTORS; X-RAY; ALLOYS; TEMPERATURE; IFEFFIT;

D O I：

10.1063/1.4819225

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Mixed chalcopyrite semiconductors like Cu(In,Ga)S-2 and Cu(In,Ga)Se-2 are characterized by the coexistence of different local atomic arrangements around the S or Se anion. The resulting anion displacement strongly influences the material bandgap. We studied the atomic-scale structure of Cu(In,Ga)S-2 as a function of composition using x-ray absorption spectroscopy and valence force field simulations. Applying a specially developed model for not fully random cation distributions, we find that structural relaxation of the anion with respect to In and Ga contributes significantly more to the bandgap bowing observed for Cu(In,Ga)S-2 and Cu(In,Ga)Se-2 than relaxation with respect to Cu and group-III atoms. (C) 2013 AIP Publishing LLC.

引用

页数：4

共 23 条

[1] MODEL OF THE LOCAL-STRUCTURE OF RANDOM TERNARY ALLOYS - EXPERIMENT VERSUS THEORY [J].