8 papers
Ideal band structures for high-performance thermoelectric materials with band convergence
Yuya Hattori, Hidetomo Usui, Yoshikazu Mizuguchi
We investigate optimal band structures in band-converged systems to achieve high zT using numerical calculations based on a virtual spectral conductivity model. We consider a two p…
Distinct Roles of Hydrogen in Superconducting and Ferromagnetic Phases of CoZrH
Yuto Watanabe, Takayoshi Katase, Daisuke Takegami +1
Hydrogenation offers a versatile route to tuning the physical properties of intermetallic compounds. In this study, we synthesized CoZrH with different hydrogen content…
Liquid-state structural asymmetry governs species-selective crystallization in multicomponent systems
Rikuya Ishikawa, Kyohei Takae, Daisuke Takegami +2
Multicomponent crystals are often assumed to form nearly random solid solutions when thermodynamically stable. However, crystal growth proceeds from structurally heterogeneous liqu…
Anharmonic lattice dynamics study of phonon transport in layered and molecular-crystal indium iodides
Takuma Shiga, Yoshikazu Mizuguchi, Hiroshi Fujihisa
Indium iodides, which adopt layered or molecular-crystal-like arrangements depending on composition, are expected to exhibit low lattice thermal conductivity because of their heavy…
Time-Temperature-Transformation (TTT) Diagrams to rationalize the nucleation and quenchability of metastable -LiPS
Akira Miura, Woohyeon Baek, Yuta Fujii +12
-LiPS is a promising solid-state electrolyte with the highest ionic conductivity among its polymorphs. However, its formation presents a thermodynamic paradox: the …
Uniaxial negative thermal expansion in a weak-itinerant-ferromagnetic phase of CoZrH
Yuto Watanabe, Kota Suzuki, Takayoshi Katase +3
We discovered unique uniaxial negative thermal expansion (NTE) behavior for a weak-itinerant-ferromagnetic phase of CoZrH. CoZr is known as a superconductor ex…