First-principles study on electronic str
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Ze-Xu, Shao ;Qi-Ren, Zhang ;Ting-Yu, Liu ;Jian-Yu, Chen
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Article
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2007
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John Wiley and Sons
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English
β 242 KB
## Abstract The electronic structures of CaWO~4~ crystals with interstitial oxygen atoms are studied within the framework of the fully relativistic selfβconsistent DiracβSlater theory, using a numerically discrete variation (DVβXΞ±) method. It is concluded by the calculation that interstitial oxygen