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Phys. Rev. B 69, 085117 (2004) [7 pages]

Electronic-structure theory of crystalline insulators under a homogeneous electric field

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Zhi-Rong Liu and Jian Wu
Center for Advanced Study, Tsinghua University, Beijing 100084, People’s Republic of China

Wenhui Duan
Department of Physics, Tsinghua University, Beijing 100084, People’s Republic of China

Received 15 September 2003; published 27 February 2004

Based on conventional energy band theory, an approach is presented to describe the electronic structure of crystalline insulators in the presence of a finite homogeneous electric field. The expression of polarization is derived which extends the “Berry phase” theory of polarization to nonzero fields. The characteristics of the solutions are studied in detail and the associations with the existing perturbation theories and computational schemes are discussed.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.69.085117
DOI:
10.1103/PhysRevB.69.085117
PACS:
71.20.-b, 71.15.-m, 77.22.Ej