51 citations · 213 across the 10 of their papers we have counts for
10 papers
Magnetization controlled by crystallization in soft magnetic Fe-Si-B-P-Cu alloys
Hiroshi Nakajima, Akihiro Osako, Noriharu Yodoshi +8
Soft magnetic materials have low coercive fields and high permeability. Recently, nanocrystalline alloys obtained using annealing amorphous alloys have attracted much interest sinc…
Giant Negative Thermal Expansion Induced by the Synergistic Effects of Ferroelectrostriction and Spin-Crossover in PbTiO3-Based Perovskites
Zhao Pan, Jun Chen, Runze Yu +18
The discovery of unusual negative thermal expansion (NTE) provides the opportunity to control the common but much desired property of thermal expansion, which is valuable not only…
Magnetism in amorphous carbon
Yuki Sakai, James R. Chelikowsky, Marvin L. Cohen
We investigate magnetism in amorphous carbon as suggested by the recently reported ferromagnetism in a new form of amorphous carbon. We use spin constrained first-principles simula…
Effect of Lead Substitution on LaO0.5F0.5BiS2
S. Otsuki, S. Demura, Y. Sakai +2
We examined Lead (Pb) Substitution effect on a single crystal of a layered superconductor LaO0.5F0.5BiS2. Pb concentration dependence of the lattice constant showed slight anomaly…
Simulating the effect of boron doping in superconducting carbon
Yuki Sakai, James R. Chelikowsky, Marvin L. Cohen
We examine the effect of boron doping in superconducting forms of amorphous carbon. By judiciously optimizing boron substitutional sites in simulated amorphous carbon we predict a…
Structural stability and energy-gap modulation through atomic protrusion in freestanding bilayer silicene
Yuki Sakai, Atsushi Oshiyama
We report on first-principles total-energy and phonon calculations that clarify structural stability and electronic properties of freestanding bilayer silicene. By extensive struct…
Effect of Sn-substitution on Thermoelectric Properties of Copper-based Sulfide, Famatinite Cu3SbS4
Yosuke Goto, Yuki Sakai, Yoichi Kamihara +1
Copper-based sulfide is an attractive material for Earth-abundant thermoelectrics. In this study, we demonstrate the effect of Sn-substitution on the electrical and thermal transpo…
Electronic structure and transport properties of Cu-deficient kuramite Cu3-xSnS4
Yosuke Goto, Yuki Sakai, Yoichi Kamihara +1
Electrical and thermal transport properties of Cu-deficient kuramite Cu3-xSnS4 (CTS) was examined as a possible earth-abundant thermoelectric material. Crystallographic structure o…
Intermolecular interactions and substrate effects for an adamantane monolayer on the Au(111) surface
Yuki Sakai, Giang D. Nguyen, Rodrigo B. Capaz +8
We study theoretically and experimentally the infrared (IR) spectrum of an adamantane monolayer on a Au(111) surface. Using a new STM-based IR spectroscopy technique (IRSTM) we are…
The effect of simultaneous substitution on the electronic band structure and thermoelectric properties of Se-doped Co3SnInS2 with the Kagome lattice
Masaya Fujioka, Taizo Shibuya, Junya Nakai +5
The thermoelectric properties and electronic band structures for Se-doped Co3SnInS2 were examined. The parent compound of this material (Co3Sn2S2) has two kinds of Sn sites (Sn1 an…