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- W3098842453 endingPage "045801" @default.
- W3098842453 startingPage "045801" @default.
- W3098842453 abstract "Crystalline semiconductors may exist in different polytypic phases with significantly different electronic and optical properties. In this paper, we calculate the electronic structure and optical properties of diamond, Si and Ge in the lonsdaleite (hexagonal diamond) phase using a transferable model empirical pseudopotential method with spin–orbit interactions. We calculate their band structures and extract various relevant parameters. Differences between the cubic and hexagonal phases are highlighted by comparing their densities of states. While diamond and Si remain indirect gap semiconductors in the lonsdaleite phase, Ge transforms into a direct gap semiconductor with a much smaller bandgap. We also calculate complex dielectric functions for different optical polarizations and find strong optical anisotropy. We further provide expansion parameters for the dielectric functions in terms of Lorentz oscillators." @default.
- W3098842453 created "2020-11-23" @default.
- W3098842453 creator A5042170198 @default.
- W3098842453 creator A5046212459 @default.
- W3098842453 date "2014-01-08" @default.
- W3098842453 modified "2023-09-30" @default.
- W3098842453 title "Electronic structure and optical properties of Si, Ge and diamond in the lonsdaleite phase" @default.
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