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

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Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides. / Zolyomi, Viktor; Drummond, Neil; Falko, Vladimir.

In: Physical review B, Vol. 87, No. 19, 195403, 02.05.2013.

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@article{bdbfc7f1bc23418c83830819a404998d,
title = "Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides",
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.",
author = "Viktor Zolyomi and Neil Drummond and Vladimir Falko",
note = "{\textcopyright}2013 American Physical Society",
year = "2013",
month = may,
day = "2",
doi = "10.1103/PhysRevB.87.195403",
language = "English",
volume = "87",
journal = "Physical Review B: Condensed Matter and Materials Physics",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "19",

}

RIS

TY - JOUR

T1 - Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides

AU - Zolyomi, Viktor

AU - Drummond, Neil

AU - Falko, Vladimir

N1 - ©2013 American Physical Society

PY - 2013/5/2

Y1 - 2013/5/2

N2 - 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.

AB - 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.

U2 - 10.1103/PhysRevB.87.195403

DO - 10.1103/PhysRevB.87.195403

M3 - Journal article

VL - 87

JO - Physical Review B: Condensed Matter and Materials Physics

JF - Physical Review B: Condensed Matter and Materials Physics

SN - 1098-0121

IS - 19

M1 - 195403

ER -