Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides

Zolyomi, Viktor and Drummond, Neil and Falko, Vladimir (2013) Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides. Physical review B, 87 (19). ISSN 1550-235X

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Abstract

We report density-functional-theory calculations of the electronic band structures and optical absorption spectra of two-dimensional crystals of Ga2X2 (X= S, Se, and Te). Our calculations show that all three two-dimensional materials are dynamically stable indirect-band-gap semiconductors with a sombrero dispersion of holes near the top of the valence band. We predict the existence of Lifshitz transitions—changes in the Fermi-surface topology of hole-doped Ga2X2—at hole concentrations nS=7.96×1013 cm−2, nSe=6.13×1013 cm−2, and nTe=3.54×1013 cm−2.

Item Type:
Journal Article
Journal or Publication Title:
Physical review B
Additional Information:
©2013 American Physical Society
ID Code:
64328
Deposited By:
Deposited On:
07 May 2013 09:14
Refereed?:
Yes
Published?:
Published
Last Modified:
02 Dec 2020 01:44