Exciton binding and plasmon dynamics in 1T '-WTe2 by first principles
ORAL
Abstract
1T'-WTe₂ is a promising quantum material which exhibits a variety of intriguing phenomena, including the quantum Hall effect and excitonic insulator behavior. Semi-local functionals predict it to be semi-metal, while the screened hybrid HSE06 opens a small gap, confirming the ARPES result. Within this work, we explore the optical response properties of this layered material with different model exchange-correlation kernels within time-dependent density functional Theory (TDDFT). Furthermore, we investigate the excitonic binding using a simplified BSE scheme. We analyze plasmon softening with our dynamic model kernel. Our analysis is expected to provide valuable insights into further theoretical and experimental investigation of this material.
*Work is supported by DOE BES DE-SC0026293.
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Presenters
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Ashesh Giri
- Tulane University