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

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https://doi.org/10.1103/PhysRevB.87.195403
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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.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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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",

issn = "1550-235X",

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

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

JF - Physical review B

SN - 1550-235X

IS - 19

M1 - 195403

ER -

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