First-Principles Materials Science Research Team

Principal Investigator

PI Name Ryotaro Arita
Degree D.Sci.
Title Team Leader
Brief Resume
2000D.Sci., University of Tokyo
2000Research Associate, Department of Physics, University of Tokyo
2004Postdoctoral Researcher, Max Planck Institute for Solid State Research
2006Research Scientist/Senior Research Scientist, Condensed Matter Theory Laboratory, RIKEN
2008Associate Professor, Department of Applied Physics, University of Tokyo
2011PRESTO, Japan Science and Technology Agency
2014Team Leader, First-Principles Materials Science Research Team, RIKEN Center for Emergent Matter Science (-present)
2016Professor, Department of Applied Physics, University of Tokyo (-present)


By means of first-principles methods, our team studies non-trivial electronic properties of materials which lead to new ideas/notions in condensed matter physics or those which have potential possibilities as unique functional materials. Especially, we are currently interested in strongly correlated/topological materials such as high Tc cuprates, iron-based superconductors, organic superconductors, carbon-based superconductors, 5d transition metal compounds, heavy fermions, giant Rashba systems, topological insulators, zeolites, and so on. We aim at predicting unexpected phenomena originating from many-body correlations and establishing new guiding principles for materials design. We are also interested in the development of new methods for ab initio electronic structure calculation.

Research Fields

Physics, Materials Sciences


First-principles calculations
Theoretical materials design
Strongly correlated electron systems


Cluster multipole theory for functional antiferromagnets

Recently, functional antiferromagnets are attracting an increasing amount of attention. In contrast with ferromagnetic devices, those using antiferromagnets have several advantages: They are robust against magnetic field perturbations, which is good for data retention. Since they do not have strong stray fields, one can integrate high-density memory. The energy scale of antiferromagnets is usually higher than that of ferromagnets, which is convenient for ultrafast data processing.

Motivated by the discovery of an extremely large anomalous Hall effect (AHE), anomalous Nernst effect (ANE), and magneto-optical Kerr effect (MOKE) in Mn3X (X=Sn, Ge), we introduced a new order parameter, which we call cluster multipole (CMP) moment, and showed that CMP characterizes AHE/ANE/MOKE in antiferromagnets with general spin configurations. We also found that CMP is useful for constructing database for magnetic structure and designing new functional antiferromagnets.


Cluster octupole in Mn3X (X=Sn, Ge), which induces a large anomalous Hall effect, anomalous Nernst effect and magneto-optical Kerr effect.


Ryotaro Arita

Team Leader arita[at] R

Shiro Sakai

Senior Research Scientist

Motoaki Hirayama

Research Scientist

Marie-Therese Diana Philipp

International Program Associate



2-1 Hirosawa, Wako, Saitama 351-0198 Japan