著者

佐久間 怜

出版者

公益社団法人 日本表面科学会

雑誌

表面科学 (ISSN:03885321)

巻号頁・発行日

vol.29, no.4, pp.264-268, 2008-04-10 (Released:2008-04-20)

参考文献数

20

被引用文献数

2 2

---

The electronic structures of many materials can be well described by the one-particle picture within the band theory. A quantitative evaluation of band gaps in semiconductors and insulators, however, needs special care because the subtle balance between the exchange and correlation effects must be properly taken into account. This article reviews theoretical approaches for calculating band gaps of materials based on 1) many-body perturbation theory, 2) density-functional theory, and 3) wavefunction-based theory, and the advantages and of each theory disadvantages are discussed.