Effect on electronic, optical and transport properties of Cu2O and Au doped Cu2O: A DFT investigation

被引：2

作者：

Kumar, Anil ^{[1
,2
]}

Umapathy, G. R. ^{[3
]}

Singh, Deobrat ^{[4
]}

Harish, V. ^{[5
]}

Rajprakash, H. G. ^{[1
,2
]}

机构：

[1] JNN Coll Engn, Dept Phys, Shivamoga 577204, India

[2] JNN Coll Engn, Res Ctr, Shivamoga 577204, India

[3] Inter Univ Accelerator Ctr, RBS Lab, New Delhi 110067, India

[4] SV Natl Inst Technol, Dept Appl Phys, Surat 395007, India

[5] Govt First Grade Coll, Dept Phys, Shivamoga 577204, Tamil Nadu, India

来源：

ADVANCES IN BASIC SCIENCES (ICABS 2019) | 2019年 / 2142卷

关键词：

Doped; DFT; Semiconductor; Band gap; Solar cell; OXIDE;

D O I：

10.1063/1.5122471

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

In this paper, we have symmetrically investigated the structural, optoelectronic and transport properties of bulk Cu2O and Au doped Cu2O structure. The incorporation of Au into Cu2O matrix changes its behavior from semiconducting to metallic behavior. In the DFT calculation electronic band gap of cubic Cu2O is 2.35 eV and Cu2OAu system shows metallic nature. The thermal conductivity of both cubic Cu2O and Cu2OAu are increases with respect to temperature. The cubic structure changed in to tetragonal structure when Au-atom deposited on it. The optical and transport properties of Cu2OAu layers such as absorption coefficient I(omega), reflectivity R(omega) and transmittance, are in good agreement with measured. The susceptibility, thermal conductivity and electrical conductivity shows stable results with variation in temperature and can be utilized energy conversion like solar cell. Our results suggest that the Cu2OAu is a better candidate for potential application for oxide based future bulk/micro/nano scale device

引用

页数：4

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