Band offsets of Ag2ZnSnSe4/CdS heterojunction: An experimental and first-principles study

被引：24

作者：

Jia, Jinhuan ^{[1
,2
]}

Li, Yongfeng ^{[1
,2
,3
]}

Yao, Bin ^{[1
,2
,3
]}

Ding, Zhanhui ^{[1
,2
]}

Deng, Rui ^{[4
]}

Jiang, Yuhong ^{[1
,2
,5
]}

Sui, Yingrui ^{[5
]}

机构：

[1] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China

[2] Jilin Univ, Coll Phys, Changchun 130012, Peoples R China

[3] Jilin Univ, Minist Educ, Coll Phys, Key Lab Phys & Technol Adv Batteries, Changchun 130012, Peoples R China

[4] Changchun Univ Sci & Technol, Sch Mat Sci & Engn, Changchun 130022, Peoples R China

[5] Jilin Normal Univ, Phys Coll, Changchun 136000, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2017年 / 121卷 / 21期

基金：

中国国家自然科学基金;

关键词：

GENERALIZED GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; SOLAR-CELLS; EFFICIENCY; FILMS; SEMICONDUCTORS; INTERFACE; CU2ZNSNS4; SN; AG;

D O I：

10.1063/1.4984315

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Band offsets at the interface of the Ag2ZnSnSe4 (AZTSe)/CdS heterojunction were systematically investigated by combining experiments and first-principles calculations. For the AZTSe/CdS interface, a higher conduction-band minimum (CBM) of the CdS than that of the AZTSe was found and the conduction-band offset of 0.31 eV was determined using X-ray photoelectron spectroscopy. Theoretically, we constructed the AZTSe/CdS interface and calculated the band alignments. Two different configurations were adopted in the calculations: the AZTSe/CdS superlattice and the AZTSe/CdS heterojunction with a vacuum layer. The calculated results indicate that CdS has a higher CBM than AZTSe at the AZTSe/CdS interface, well supporting the experimental results. Our results suggest that the AZTSe/CdS heterojunction has an ideal band structure for photovoltaic applications. Published by AIP Publishing.

引用

页数：6

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