activity
20122025
most citedFirst-principles theory of nonradiative carrier capture via multiphonon emission

450 citations · 1.2k across the 13 of their papers we have counts for

collaborators

13 papers

cond-mat.mtrl-sci2025

Design of high-mobility p-type GaN via the piezomobility tensor

Jie-Cheng Chen, Joshua Leveillee, Chris G. Van de Walle +1

Gallium nitride (GaN) is a wide-bandgap semiconductor of significant interest for applications in solid-state lighting, power electronics, and radio-frequency amplifiers. An import…

cond-mat.mtrl-sci202526 cited

Clarification of the Spontaneous Polarization Direction in Crystals with Wurtzite Structure

Simon Fichtner, Mohamed Yassine, Chris van de Walle +1

The wurtzite structure is one of the most frequently found crystal structures in modern semiconductors and its inherent spontaneous polarization is a defining materials property. D…

cond-mat.mtrl-sci2023

A first-principles approach to closing the "10-100 eV gap" for charge-carrier thermalization in semiconductors

Dallin O. Nielsen, Chris G. Van de Walle, Sokrates T. Pantelides +3

The present work is concerned with studying accurately the energy-loss processes that control the thermalization of hot electrons and holes that are generated by high-energy radiat…

cond-mat.mtrl-sci20226 cited

Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN and MgSiN

Joshua Leveillee, Samuel Ponce, Nicholas L. Adamski +2

The key obstacle toward realizing integrated gallium nitride (GaN) electronics is its low hole mobility. Here, we explore the possibility of improving the hole mobility of GaN via…

cond-mat.mtrl-sci201442 cited

Mechanism for the decomposition of lithium borohydride

Khang Hoang, Chris G. Van de Walle

We report first-principles density functional theory studies of native defects in lithium borohydride (LiBH), a potential material for hydrogen storage. Based on our detailed…

cond-mat.mtrl-sci201412 cited

LiH as a Li and H ion provider

Khang Hoang, Chris G. Van de Walle

We present a first-principles study of the formation and migration of native defects in lithium hydride (LiH), a material of interest in hydrogen storage and lithium-ion batteries.…