Publications (28)
Heterostructure Engineering for Wurtzite LaN
Andrew J. E. Rowberg, Sai Mu, Chris G. Van de Walle
Wurtzite LaN (wz-LaN) is a semiconducting nitride with favorable piezoelectric and ferroelectric properties, making it promising for applications in electronics. We use first-princ…
Identification of the I Donor in ZnO as a Sn--Li Complex with Large Hyperfine Interaction
Xingyi Wang, Sai Mu, Jeong Rae Kim +6
Donor impurities in wide direct band gap semiconductors provide a promising platform for spin--photon quantum technologies by combining a donor spin qubit with optically addressabl…
Spectral signatures of thermal spin disorder and excess Mn in half-metallic NiMnSb
K. D. Belashchenko, Jeevaka Weerasinghe, Sai Mu +1
Effects of thermal spin disorder and excess Mn on the electronic spectrum of half-metallic NiMnSb are studied using first-principles calculations. Temperature-dependent spin disord…
Unveiling the Pockels Coefficient of Ferroelectric Nitride ScAlN
Guangcanlan Yang, Haochen Wang, Sai Mu +7
Nitride ferroelectrics have recently emerged as promising alternatives to oxide ferroelectrics due to their compatibility with mainstream semiconductor processing. ScAlN, in partic…
Virtual Node Graph Neural Network for Full Phonon Prediction
Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Artittaya Boonkird +10
The structure-property relationship plays a central role in materials science. Understanding the structure-property relationship in solid-state materials is crucial for structure d…
Extreme Fermi surface smearing in a maximally disordered concentrated solid solution
Hannah C. Robarts, Thomas E. Millichamp, Daniel A. Lagos +13
We show that the Fermi surface can survive the presence of extreme compositional disorder in the equiatomic alloy NiFeCoCr. Our high-resolution…