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July 25, 2013Physical Review B953 citationsOpen Access

Theory of neutral and charged excitons in monolayer transition metal dichalcogenides

TBTimothy C. BerkelbachMHMark S. HybertsenDRDavid R. Reichman

Key Points

  • The study aims to develop a theoretical framework for understanding neutral and charged excitons in transition metal dichalcogenides.
  • Developed an effective mass model for excitons and trions, integrating ab initio calculations.
  • Included a detailed analysis of two-dimensional screening effects.
  • Compared theoretical predictions for trion binding energies to experimental measurements.
  • Exciton binding energies align well with high-level many-body calculations based on the Bethe-Salpeter equation.
  • Trion binding energies show favorable correlation with recent experimental data.

Abstract

We present a microscopic theory of neutral excitons and charged excitons (trions) in monolayers of transition metal dichalcogenides, including molybdenum disulfide. Our theory is based on an effective mass model of excitons and trions, parameterized by ab initio calculations and incorporating a proper treatment of screening in two dimensions. The calculated exciton binding energies are in good agreement with high-level many-body computations based on the Bethe-Salpeter equation. Furthermore, our calculations for the more complex trion species compare very favorably with recent experimental measurements and provide atomistic insight into the microscopic features which determine the trion binding energy.

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Cite This Study

Berkelbach et al. (2013) studied this question.

synapsesocial.com/papers/69d96b3094760e72e6a3c68chttps://doi.org/10.1103/physrevb.88.045318
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