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Lee, Geunsik
Electronic Structure and Transport in Condensed Materials
Research Interests
  • open quantum system, non-equilibrium electron transport
  • electron correlation, dynamical mean field theory
  • 2D materials, metal complexes

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Ab initio studies of structural and electronic properties of the crystalline Ge(2)Sb(2)Te(5)

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Title
Ab initio studies of structural and electronic properties of the crystalline Ge(2)Sb(2)Te(5)
Author
Lee, GeunsikJhi, Seung-Hoon
Issue Date
2008-04
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW B, v.77, no.15, pp.153201
Abstract
We study the atomic structure and the electronic and optical properties of Ge(2)Sb(2)Te(5) in two different crystalline states of cubic and hexagonal structures with the use of ab initio pseudopotential density functional method. It is found that electronic and atomic structures are very sensitive to the layer sequence in the two phases. The proximity of vacancy layer to Ge layer leads to the splitting of Ge-Te bond length, which, in turn, affects the electronic and optical properties. The effect of Te d orbitals is also investigated with respect to structural properties
URI
https://scholarworks.unist.ac.kr/handle/201301/16711
URL
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.77.153201
DOI
10.1103/PhysRevB.77.153201
ISSN
1098-0121
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CHM_Journal Papers
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