Isostructural BaSi<sub>2</sub>, BaGe<sub>2</sub> and SrGe<sub>2</sub>: electronic and optical properties

書誌事項

公開日
2007-06-19
権利情報
  • http://onlinelibrary.wiley.com/termsAndConditions#vor
DOI
  • 10.1002/pssb.200642556
公開者
Wiley

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説明

<jats:title>Abstract</jats:title><jats:p>We have performed a theoretical study of the electronic band structure, density of states, dielectric function and absorption coefficient of isostructural BaSi<jats:sub>2</jats:sub>, BaGe<jats:sub>2</jats:sub> and SrGe<jats:sub>2</jats:sub> compounds by means of different <jats:italic>ab initio</jats:italic> methods. All materials are found to be indirect band‐gap semiconductors displaying almost equal dispersion of bands close to the gap region. The energy gaps of 0.83, 0.57 and 0.44 eV are estimated for BaSi<jats:sub>2</jats:sub>, BaGe<jats:sub>2</jats:sub> and SrGe<jats:sub>2</jats:sub>, respectively. Analysis of the absorption coefficient of BaSi<jats:sub>2</jats:sub> in comparison with data for other semiconducting silicides indicates its prospects for a solar cell application. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)</jats:p>

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