Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds

被引：88

作者：

Palacios, P.

Sanchez, K.

Conesa, J. C.

Fernandez, J. J.

Wahnon, P.

机构：

[1] UPM, ETSI Telecomunicac, Inst Energia Solar, Madrid 28040, Spain

[2] UPM, ETSI Telecomunicac, Dpt Tecnol Especiales, Madrid 28040, Spain

[3] CSIC, Inst Catalisis & Petroleoquim, E-28049 Madrid, Spain

[4] Univ Nacl Educ Distancia, Dept Fis Fundamental, E-28080 Madrid, Spain

来源：

THIN SOLID FILMS | 2007年 / 515卷 / 15期

关键词：

chalcopyrite; intermediate band materials; electronic structure; thermodynamics;

D O I：

10.1016/j.tsf.2006.12.170

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Electronic structure calculations are carried out for CuGaS, partially substituted with Ti, V, Cr or Mn to ascertain if some of these systems could provide an intermediate band material able to give a high efficiency photovoltaic cell. Trends in electronic level positions are analyzed and more accurate advanced theory levels (exact exchange or Hubbard-type methods) are used in some cases. The Ti-substituted system seems more likely to yield an intermediate band material with the desired properties, and furthermore seems realizable from the thermodynamic point of view, while those with Cr and Mn might give half-metal structures with applications in spintronics. (C) 2006 Elsevier B.V. All rights reserved.

引用

页码：6280 / 6284

页数：5

共 18 条

[1] Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study [J].