1.2k citations · 1.6k across the 15 of their papers we have counts for
15 papers
Hybrid ab initio method for examining thermal properties in magnetic materials
Matthew Heine, Olle Hellman, David Broido
A hybrid ab initio theoretical approach for examining thermal properties in magnetic systems of unknown entropy is presented. Commonly used theoretical approaches interrogate therm…
Colossal phonon drag enhanced thermopower in lightly doped diamond
Chunhua Li, Nakib H Protik, Pablo Ordejón +1
Diamond is one of the most studied materials because of its unique combination of remarkable electrical, mechanical, thermal and optical properties. Using a fully self-consistent a…
Visualizing bulk and edge photocurrent flow in anisotropic Weyl semimetals
Yu-Xuan Wang, Xin-Yue Zhang, Chunhua Li +8
Materials that rectify light into current in their bulk are desired for optoelectronic applications. In inversion-breaking Weyl semimetals, bulk photocurrents may arise due to nonl…
The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations
Nakib H. Protik, Chunhua Li, Miguel Pruneda +2
elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron-phonon Boltzmann transport equations from first principles. Using results from densit…
How do defects limit the ultrahigh thermal conductivity of BAs? A first principles study
Mauro Fava, Nakib Haider Protik, Chunhua Li +6
The promise enabled by BAs high thermal conductivity in power electronics cannot be assessed without taking into account the reduction incurred when doping the material. Using firs…
Exposing the hidden influence of selection rules on phonon-phonon scattering by pressure and temperature tuning
Navaneetha K. Ravichandran, David Broido
Using ab initio calculations, we show that the hidden influence of selection rules on three-phonon scattering can be exposed through anomalous signatures in the pressure () and…