Band Offsets at the ZnO/Cu2ZnSnS4 Interface Based on the First Principles Calculation

被引：12

作者：

Bao, Wujisiguleng ^{[1
]}

Ichimura, Masaya ^{[1
]}

机构：

[1] Nagoya Inst Technol, Dept Engn Phys Elect & Mech, Nagoya, Aichi 4668555, Japan

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS | 2013年 / 52卷 / 06期

关键词：

SOLAR-CELLS;

D O I：

10.7567/JJAP.52.061203

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Cu2ZnSnS4 (CZTS) is attracting much attention recently as an absorber layer material in a heterojunction solar cell. We evaluate the valence band offset Delta E-v at the ZnO/CZTS heterojunction interface by calculating the local density of states for each atom in the heterostructure supercell by the first-principles method. Delta E-v is in the range of 0.8-1.3 eV, depending on the interface anion-atom species and the lattice constraint condition. The conduction band minimum of CZTS is predicted to be lower than that of ZnO. (c) The Japan Society of Applied Physics

引用

页数：5

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