9 papers
Effects of Interfacial States and Strain on Tunnel Magnetoresistance in van der Waals Magnetic Tunnel Junctions
Sakshi Goel, Arti Kashyap, Keisuke Masuda +1
All-two-dimensional magnetic tunnel junctions promise atomically sharp interfaces, yet the role of interface-induced states in their spin transport is not fully understood. Here, w…
Electron-phonon-coupled Langevin dynamics for strongly-correlated insulators
Rico Pohle, Yukitoshi Motome, Terumasa Tadano +1
The Landau-Lifshitz-Gilbert (LLG) equations are widely used to study spin dynamics in Mott insulators. However, because energy damping is typically introduced phenomenologically, t…
Accurate Screening of Functional Materials with Machine-Learning Potential and Transfer-Learned Regressions: Heusler Alloy Benchmark
Enda Xiao, Terumasa Tadano
A machine learning-accelerated high-throughput (HTP) workflow for the discovery of magnetic materials is presented. As a test case, we screened quaternary and all- Heusler compo…
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Masato Ohnishi, Tianqi Deng, Pol Torres +16
Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their th…
Finite-Temperature Structural Optimization of the Bilayer Nickelate Superconductor LaNiO
Ryoma Asai, Ryotaro Arita, Takumi Chida +3
We develop a first-principles framework for finite-temperature structural optimization that incorporates vibrational contributions to the free energy through anharmonic phonon theo…
Control of Covalent Bond Enables Efficient Magnetic Cooling
Xin Tang, Yoshio Miura, Noriki Terada +14
Magnetic cooling, harnessing the temperature change in matter when exposed to a magnetic field, presents an energy-efficient and climate-friendly alternative to traditional vapor-c…