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First-principles study on the origin of large thermopower in hole-doped LaRhO3 and CuRhO2
Hidetomo Usui, Ryotaro Arita, Kazuhiko Kuroki
Based on first-principles calculations, we study the origin of the large thermopower in Ni-doped LaRhO3 and Mg-doped CuRhO2. We calculate the band structure and construct the maxim…
Electronic Structure and Electron Correlation in LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x
Walid Malaeb, Teppei Yoshida, Takashi Kataoka +10
Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of t…
Band Jahn-Teller Instability and Formation of Valence Bond Solid in a Mixed-Valent Spinel Oxide LiRh2O4
Yoshihiko Okamoto, Seiji Niitaka, Masaya Uchida +7
We have synthesized a new spinel oxide LiRh2O4 with a mixed-valent configuration of Rh3+ and Rh4+. At room temperature it is a paramagnetic metal, but on cooling, a metal-insulator…
Bandwidth and Fermi surface of Iron-Oxypnictides: covalency and sensitivity to structural changes
Veronica Vildosola, Leonid Pourovskii, Ryotaro Arita +2
Some important aspects of the electronic structure of the iron oxypnictides depend very sensitively on small changes in interatomic distances and bond angles within the iron-pnicto…
Ab initio Derivation of Low-energy Model for Iron-Based Superconductors LaFeAsO and LaFePO
Kazuma Nakamura, Ryotaro Arita, Masatoshi Imada
Effective Hamiltonians for LaFeAsO and LaFePO are derived from the downfolding scheme based on first-principles calculations and provide insights for newly discovered superconducti…
Origin of large thermopower in LiRhO
R. Arita, K. Kuroki, K. Held +3
Motivated by the newly synthesized mixed-valent spinel LiRhO for which a large thermopower is observed in the metallic cubic phase above 230K [Okamoto {\it et al.} (arXiv:0…