23 citations · 49 across the 4 of their papers we have counts for
7 papers · 1 filter
Stacking-dependent electronic structure of ultrathin perovskite bilayers
Daniel T. Larson, Daniel Bennett, Abduhla Ali +4
Twistronics has received much attention as a new method to manipulate the properties of 2D van der Waals structures by introducing moiré patterns through a relative rotation betwee…
Computational prediction of high thermoelectric performance in AsSe by engineering out-of-equilibrium defects
Anderson S. Chaves, Murilo Aguiar Silva, Alex Antonelli
We employed first-principles calculations to investigate the thermoelectric transport properties of the compound AsSe. Early experiments and calculations have indicated tha…
Outstanding thermoelectric performance predicted for out-of-plane p-doped GeSe
Anderson S. Chaves, Daniel T. Larson, Efthimios Kaxiras +1
The record-breaking thermoelectric performance of tin selenide (SnSe) has motivated the investigation of analogue compounds with the same structure. A promising candidate that emer…
Microscopic origin of the excellent thermoelectric performance in n-doped SnSe
Anderson S. Chaves, Daniel T. Larson, Efthimios Kaxiras +1
Excellent thermoelectric performance in the out-of-layer n-doped SnSe has been observed experimentally (Chang et al., Science 360, 778-783 (2018)). However, a first-principles inve…
Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation
Anderson S. Chaves, Alex Antonelli, Daniel T. Larson +1
The coupling between electrons and phonons in solids plays a central role in describing many phenomena, including superconductivity and thermoelecric transport. Calculations of thi…
Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: The case of p-type SnSe
Anderson S. Chaves, Robert Luis González-Romero, Juan J. Meléndez +1
Efficient ab initio computational methods for the calculation of thermoelectric transport properties of materials are of great avail for energy harvesting technologies. The BoltzTr…