Kazutaka Abe,Associate Professor
Masahito Tsujikawa,Assistant Professor
Tufan Roy,Tufan Roy Research Fellow
Various kinds of materials are utilized for processing, communication, and storage of massive data in modern information devices. Our research objectives are as follows: (1) theoretical analyses of quantum phenomena in materials and nanostructures, (2) computational design of materials and nanostructures which possess new functionalities, (3) development of materials design scheme utilizing large-scale computational simulation techniques.
Materials Functionality Design (Prof. Shirai)
Our research interest is focused on “spintronics” to realize new functional devices. The main topic is theoretical analysis of spin-dependent transport properties in highly spin-polarized materials. We extend our theoretical research to electric-field effect on magnetic anisotropy in ferromagnetic films for realizing low power- consumption devices.The enhancement of voltage controlled magnetic anisotropy (VCMA) effect is required for realizing ultra-low energy consumption magnetic memory. We found that the Ir doping to the MgO/Fe interface lead to enhancement of the perpendicular magnetic anisotropy and VCMA effect. This enhancement of VCMA is caused by the huge spin-orbit coupling constant of Ir atom and the spin asymmetric electronic structure of Ir induced by the strong hybridization between Fe-3d and Ir-5d orbitals. [T. Nozaki, et al., NPG Asia Materials 9, e451 (2017).]
- Design of new spintronics materials based on first-principles calculation
- Theoretical analysis of transport properties in spintronics devices
- Computational simulation of nanostructure-growth process on surface
- Development of simulation scheme for material/device functionality design
Materials Science under Extreme Conditions(Assoc. Prof. Abe)
We investigate the properties of dense materials by using ab initio methods. Our current research focuses on metallic hydrides, which are predicted to show high-temperature superconductivity driven by electron-phonon coupling. We are also developing simulation techniques to search stable structures from first principles. The structural search methods are quite useful for examining unknown substances and, therefore, likewise applicable to designing new materials at one atmosphere.
- Matter at high densities.
- Metallization and superconductivity of hydrogen and hydrides.
- Development of first-principles structural search methods.