Мақола

Optical Spectrum of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>: Many-Body Effects and Diversity of Exciton States

Diana Y. QiuDepartment of Physics, University of California at Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USAFelipe H. da JornadaDepartment of Physics, University of California at Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USASteven G. LouieDepartment of Physics, University of California at Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

2013lv

ABI

Аннотация

We present first-principles calculations of the optical response of monolayer molybdenum disulfide employing the $GW$-Bethe-Salpeter equation ($GW$-BSE) approach including self-energy, excitonic, and electron-phonon effects. We show that monolayer ${\mathrm{MoS}}_{2}$ possesses a large and diverse number of strongly bound excitonic states with novel $k$-space characteristics that were not previously seen experimentally or theoretically. The absorption spectrum is shown to be dominated by excitonic states with a binding energy close to 1 eV and by strong electron-phonon broadening in the visible to ultraviolet range. Our results explain recent experimental measurements and resolve inconsistencies between previous $GW$-BSE calculations.

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Идентификаторлар

DOI: 10.1103/physrevlett.111.216805

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