著者
石井 靖
出版者
The Crystallographic Society of Japan
雑誌
日本結晶学会誌 (ISSN:03694585)
巻号頁・発行日
vol.49, no.1, pp.55-60, 2007-02-28 (Released:2010-09-30)
参考文献数
17

First-principles calculation of electronic structures of approximant crystals is a reliable tool for studying cohesion mechanism and electronic properties of real quasicrystals. This article aims at explaining the first-principles calculation as methodology of quasicrystal reaseach. After brief introduction of approximant and methods of the first-principles calculations, we present several approaches, including the tight-binding method and the plane-wave-basis method, for Cd-M (M = Ca, Mg) binary systems.

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@cometscome_phys 準結晶の第一原理計算には、近似結晶(approximant crystal)という手法を使うらしいですね。興味深いです。 https://t.co/8UP09T2Ajk

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