2 papers
cond-mat.mtrl-sci2026
Strain effects on the binding and diffusion energies of Au adatoms and CeO2 admolcules on Au, CeO2, MgO and SrTiO3 surfaces
Ahmad Ahmad, Ying-Cheng Chen, Jie Peng +1
First-principles density functional theory (DFT) calculations were used to study the effects of elastic strains on the binding and diffusion activation energies of Au adatom and Ce…
cond-mat.mtrl-sci2024
Effect of electron-phonon coupling on thermal transport in metals: a Monte Carlo approach for solving the coupled electron-phonon Boltzmann transport equations
Jie Peng, W. Ryan Deskins, Maria Helena Braga +1
In this work, the effect of electron-phonon (e-ph) coupling on both electron and phonon transport of metals is investigated via first principles calculations. A Monte-Carlo (MC) ap…