5 papers · 1 filter
Halide donors in monoclinic- and corundum-phase GaO and AlO
Sai Mu, Haochen Wang, Yongjoong Shin +2
We present a systematic first-principles investigation of halide impurities (F and Cl) in GaO and AlO, considering both monoclinic and corundum phases. Our study of…
Characterization of Chromium Impurities in -GaO
Mark E. Turiansky, Sai Mu, Lukas Razinkovas +8
Chromium is a common transition-metal impurity that is easily incorporated during crystal growth. It is perhaps best known for giving rise to the 694.3 nm (1.786 eV) emission in Cr…
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…
Towards higher electro-optic response in AlScN
Haochen Wang, Sai Mu, Chris G. Van de Walle
Novel materials with large electro-optic (EO) coefficients are essential for developing ultra-compact broadband modulators and enabling effective quantum transduction. Compared to…
Absence of Phonon Softening across a Charge Density Wave Transition due to Quantum Fluctuations
Yubi Chen, Terawit Kongruengkit, Andrea Capa Salinas +9
Kagome metals have emerged as a frontier in condensed matter physics due to their potential to host exotic quantum states. Among these, CsV3Sb5 has attracted significant attention…