318 citations · 759 across the 16 of their papers we have counts for
16 papers
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…
Phonons and phase symmetries in bulk from scattering measurements and theory
Xun Li, Seunghwan Do, Jiaqiang Yan +7
Phonon-derived behaviors are important indicators of novel phenomena in transition metal trihalides, including spin liquid behavior, two-dimensional magnetism, and spin-lattice cou…
The Role of the Third Dimension in Searching Majorana Fermions in -RuCl via Phonons
Sai Mu, Kiranmayi D. Dixit, Xiaoping Wang +12
Understanding phonons in -RuCl is critical to analyze the controversy around the observation of the half-integer thermal quantum Hall effect. While many studies have focused…
Role of carbon and hydrogen in limiting -type doping of monoclinic (AlGa)O
Sai Mu, Mengen Wang, Joel B. Varley +3
We use hybrid density functional calculations to assess n-type doping in monoclinic (AlGa)O alloys. We focus on Si, the most promising donor dopant, and study t…
Epitaxial ScAlN on GaN is a High K Dielectric
Joseph Casamento, Hyunjea Lee, Takuya Maeda +7
Epitaxial ScAlN thin films of ~100 nm thickness grown on metal polar GaN exhibit significantly enhanced relative dielectric permittivity () values relative to AlN.…
Piezoelectric effect and polarization switching in AlScN
Haochen Wang, Nicholas Adamski, Sai Mu +1
Aluminum nitride is piezoelectric and exhibits spontaneous polarization along the -axis, but the polarization cannot be switched by applying an electric field. Adding Sc to AlN…
First-principles study of electron transport in ScN
Sai Mu, Andrew J. E. Rowberg, Joshua Leveillee +2
We investigate the conduction-band structure and electron mobility in rocksalt ScN based on density functional theory. The first-principles band structure allows us to obtain band…
Bulk and element specific magnetism of the medium and high entropy Cantor-Wu alloys
D. Billington, A. D. N. James, E. I. Harris-Lee +14
Magnetic Compton scattering, x-ray magnetic circular dichroism spectroscopy and bulk magnetometry measurements are performed on a set of medium (NiFeCo and NiFeCoCr) and high (NiFe…
Phonons, Q-dependent Kondo spin fluctuations, and 4/phonon resonance in YbAl
Andrew D. Christianson, Victor R. Fanelli, Lucas Lindsay +7
The intermediate valence (IV) compound YbAl exhibits nonintegral valence (Yb 4 (5d6s) where z = 2+n = 2.75) in a moderately heavy (m* = 20-30me) ground stat…
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…
Unfolding the complexity of quasi-particle physics in disordered materials
Sai Mu, Raina Olsen, B. Dutta +9
The concept of quasi-particles forms the theoretical basis of our microscopic understanding of emergent phenomena associated with quantum mechanical many-body interactions. However…
Influence of strain and chemical substitution on the magnetic anisotropy of antiferromagnetic CrO: an ab-initio study
Sai Mu, K. D. Belashchenko
The influence of the mechanical strain and chemical substitution on the magnetic anisotropy energy (MAE) of CrO is studied using first-principles calculations. Dzyaloshinsk…
Decoupling carrier concentration and electron-phonon coupling in oxide heterostructures observed with resonant inelastic x-ray scattering
D. Meyers, Ken Nakatsukasa, Sai Mu +19
We report the observation of multiple phonon satellite features in ultra thin superlattices of form SrIrO/SrTiO using resonant inelastic x-ray scattering. As the valu…
Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys
Sai Mu, G. D. Samolyuk, S. Wimmer +5
Whilst it has long been known that disorder profoundly affects transport properties, recent measurements on a series of solid solution 3d-transition metal alloys reveal two orders…
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…
First-principles microscopic model of exchange-driven magnetoelectric response with application to CrO
Sai Mu, A. L. Wysocki, K. D. Belashchenko
The exchange-driven contribution to the magnetoelectric susceptibility is formulated using a microscopic model Hamiltonian coupling the spin degrees of freedom to lattice d…