Ab initio simulation of the electronic s
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T. V. Perevalov, A. V. Shaposhnikov
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Article
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2013
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Springer
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English
β 254 KB
Ab initio simulation of the electronic structure crystalline Ξ² and Ξ΄ phases of tantalum(V) oxide (Ta 2 O 5 ), representing a promising dielectric material for microelectronics, has been carried out. Both ideal crystals and those with neutral oxygen vacancies in various coordination positions have be