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Ti-derived intermediate band in MgH₂

This article deals with a study of electronic structure of Ti-doped MgH₂ by the first-principles calculations. We show that Ti impurity substituting Mg (TiMmg) forms an intermediate band in the band gap of MgH₂, which is partially filled with electrons. However, the intermediate bands are well local...

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Bibliographic Details
Main Authors: Sheripov, U., Zhanabergenov, Zh., Uteniyazov, A., Ismailov, K., Karazhanov, S.
Format: Article
Language:English
Published: НТК «Інститут монокристалів» НАН України 2012
Series:Functional Materials
Subjects:
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/135364
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