168 citations · 242 across the 5 of their papers we have counts for
4 papers · 1 filter
Improved model for the thermal conductivity of binary metallic systems
Changdong Wei, Nikolas Antolin, Oscar D. Restrepo +2
We extended and corrected Mott's two-band model for the composition-dependence of thermal and electrical conductivity in binary metal alloys based on high-throughput time-domain th…
First-Principles Simulation of Electron Mean-Free-Path Spectra and Thermoelectric Properties in Silicon
Bo Qiu, Zhiting Tian, Ajit Vallabhaneni +5
The mean-free-paths (MFPs) of energy carriers are of critical importance to the nano-engineering of better thermoelectric materials. Despite significant progress in the first-princ…
Fast Free Energy Calculations for Unstable High-Temperature Phases
Nikolas Antolin, Oscar D. Restrepo, Wolfgang Windl
We present a fast and accurate method to calculate vibrational properties for mechanically unstable high temperature phases that suffer from imaginary frequencies at zero temperatu…
First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures
Rohan Mishra, Oscar D. Restrepo, Siddharth Rajan +1
We propose a new method to calculate polarization induced interfacial charges in semiconductor heterostructures using classical electrostatics applied to real-space band diagrams f…