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• W2799294148 abstract "Transition-metal dichalcogenides (TMDCs) are a focus of current research due to their fascinating optical and electronic properties with possible technical applications. ${mathrm{ReSe}}_{2}$ is an interesting material of the TMDC family, with unique anisotropic properties originating from its distorted $1T$ structure ($1T$ '). To develop a fundamental understanding of the optical and electric properties, we studied the underlying electronic structure with angle-resolved photoemission (ARPES) as well as band-structure calculations within the density functional theory (DFT)--local density approximation (LDA) and GdW approximations. We identified the $overline{mathrm{ensuremath{Gamma}}}phantom{rule{0.28453pt}{0ex}}{overline{M}}_{1}$ direction, which is perpendicular to the $a$ axis, as a distinct direction in k space with the smallest bandwidth of the highest valence band. Using photon-energy-dependent ARPES, two valence band maxima are identified within experimental limits of about 50 meV: one at the high-symmetry point $Z$, and a second one at a non-high-symmetry point in the Brillouin zone. Thus, the position in k space of the global valence band maximum is undecided experimentally. Theoretically, an indirect band gap is predicted on a DFT-LDA level, while quasiparticle corrections lead to a direct band gap at the $Z$ point." @default.
• W2799294148 created "2018-05-17" @default.
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• W2799294148 date "2018-04-18" @default.
• W2799294148 modified "2023-10-16" @default.
• W2799294148 title "Location of the valence band maximum in the band structure of anisotropic <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mn>1</mml:mn><mml:msup><mml:mi>T</mml:mi><mml:mo>′</mml:mo></mml:msup><mml:mo>−</mml:mo><mml:msub><mml:mi>ReSe</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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• W2799294148 doi "https://doi.org/10.1103/physrevb.97.165130" @default.
• W2799294148 hasPublicationYear "2018" @default.
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