5 papers · 1 filter
Significant first-principles electron-phonon coupling effects in the LiZnAs and ScAgC half-Heusler thermoelectrics
Vinod Kumar Solet, Sudhir K. Pandey
The half-Heusler (hH) compounds are currently considered promising thermoelectric (TE) materials due to their favorable thermopower and electrical conductivity. Accurate estimates…
Many-body \textit{ab initio} study of quasiparticles, optical excitations, and excitonic properties in LiZnAs and ScAgC for photovoltaic applications
Vinod Kumar Solet, Sudhir K. Pandey
Using first-principles density-functional theory and many-body excited-state calculations, we study the quasiparticle band structure, optical and excitonic properties of two half-H…
Band gap renormalization, carrier mobility, and transport in MgSi and CaSi: \textit{Ab initio} scattering and Boltzmann transport equation study
Vinod Kumar Solet, Sudhir K. Pandey
We perform first-principles electron-phonon interaction (EPI) calculations based on many-body perturbation theory to study the temperature-dependent band-gap and charge-carrier tra…
First-principles many-body study for electronic, optical, and excitonic properties of RbTlCl3 perovskite for solar cells
Siddharth, Vinod Kumar Solet, Sudhir K. Pandey
We present a detailed many-body ab initio study of the valence-skipper RbTlCl perovskite compound for photovoltaic (PV) applications. The electronic and optical properties, b…
MgSi and CaSi semiconductors for photovoltaic applications: Calculations based on density-functional theory and the Bethe-Salpeter equation
Vinod Kumar Solet, Sudhir K. Pandey
We conduct a comprehensive assessment of the electronic and optical properties, as well as photovoltaic (PV) performance parameters for MgSi and CaSi using density-func…