Masafumi Shirai

Bio: Masafumi Shirai is an academic researcher from Tohoku University. The author has contributed to research in topics: Magnetic moment & Electronic band structure. The author has an hindex of 37, co-authored 219 publications receiving 5252 citations. Previous affiliations of Masafumi Shirai include Toho University & Shinshu University.

Atomic disorder effects on half-metallicity of the full-Heusler alloys Co 2 ( Cr 1 − x Fe x ) Al : A first-principles study

Abstract: We investigate the atomic disorder effects on the half-metallicity of the full-Heusler alloy ${\mathrm{Co}}_{2}({\mathrm{Cr}}_{1\ensuremath{-}x}{\mathrm{Fe}}_{x})\mathrm{Al}$ from first principles by using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Our results show that disorder between Cr and Al does not significantly reduce the spin polarization of the parent alloy ${\mathrm{Co}}_{2}\mathrm{CrAl},$ while disorder between Co and Cr makes a considerable reduction of the spin polarization. It is observed that the spin polarization of ${\mathrm{Co}}_{2}({\mathrm{Cr}}_{1\ensuremath{-}x}{\mathrm{Fe}}_{x})\mathrm{Al}$ decreases with increasing Fe concentration x in both the ordered ${L2}_{1}$ and the disordered $B2$ structures, and that the effects of the disorder on the spin polarization is significant at low Fe concentrations. The results suggest that a highly spin-polarized ferromagnet with high Curie temperature will be obtained if a ${\mathrm{Co}}_{2}({\mathrm{Cr}}_{1\ensuremath{-}x}{\mathrm{Fe}}_{x})\mathrm{Al}$ with the ordered ${L2}_{1}$ structure can be fabricated at low Fe concentrations.

Material Design of Half-Metallic Zinc-Blende CrAs and the Synthesis by Molecular-Beam Epitaxy

Abstract: A new class of half-metallic ferromagnets has been found in the zinc-blende crystal structure. The previously nonexistent zinc-blende CrAs thin films have been synthesized on GaAs (001) substrates by molecular-beam epitaxy, and show a ferromagnetic behavior at room temperature. The zinc-blende CrAs has been designed by ab initio calculations based on the local spin-density approximation, and the calculation predicts the highly spin-polarized electronic band structure.

Low damping constant for Co2FeAl Heusler alloy films and its correlation with density of states

Abstract: Gilbert damping for the epitaxial Co2FeAl Heusler alloy films was investigated. Gilbert damping constant for the films was evaluated by analyzing the data of ferromagnetic resonance measured at the frequency of 2–20 GHz. Gilbert damping constant for the film without annealing was rather large, while it decreased remarkably with postannealing. Gilbert damping constant for the film annealed at 600 °C was ≃0.001. These behavior of Gilbert damping constant can be well explained by the fact that the density of states calculated from first principles decreases with increasing the degree of B2 order.

Role of Electronic Structure in the Martensitic Phase Transition of Ni_2Mn_ Sn_ Studied by Hard-X-Ray Photoelectron Spectroscopy and Ab Initio Calculation

Abstract: We have revealed the underlying mechanism of the martensitic phase transition (MPT) in a new class of ferromagnetic shape memory alloys, Ni2Mn1+xSn1-x, by the combination of bulk-sensitive hard-x-ray photoelectron spectroscopy and a first-principles density-functional calculation. The Ni 3d e{g} state in the cubic phase systematically shifts towards the Fermi energy with an increase in the number of Mn atoms substituted in the Sn sites. An abrupt decrease of the intensity of the Ni 3d e{g} states upon MPT for x=0.36-0.42 has been observed in the vicinity of the Fermi level. The energy shift of the Ni 3d minority-spin e{g} state in the cubic phase originates from hybridization with the antiferromagnetically coupled Mn in the Sn site. Below the MPT temperature, the Ni 3d state splits into two levels located below and above the Fermi energy in order to achieve an energetically stable state.

Mechanism of large magnetoresistance in Co 2 MnSi / Ag / Co 2 MnSi devices with current perpendicular to the plane

Abstract: Fully epitaxial current-perpendicular-to-plane giant magnetoresistance (MR) devices with half-metallic ${\text{Co}}_{2}\text{MnSi}$ (CMS) electrodes and a Ag spacer were fabricated to investigate the relationship between the chemical ordering in CMS and its MR properties, including bulk and interface spin-asymmetry coefficients $\ensuremath{\beta}$ and $\ensuremath{\gamma}$. CMS/Ag/CMS annealed at $550\text{ }\ifmmode^\circ\else\textdegree\fi{}\text{C}$ shows the largest MR ratio: 36.4% and 67.2% at RT and 110 K, respectively. An analysis based on Valet-Fert's model reveals large spin asymmetry $(\ensuremath{\gamma}g0.8)$ at the CMS/Ag interface, which contributes predominantly to the large MR ratio observed. First-principles ballistic conductance calculations for (001)-CMS/Ag/CMS predict a high majority-spin electron conductance, which could be the origin of the large $\ensuremath{\gamma}$ observed in this study.

Making Nonmagnetic Semiconductors Ferromagnetic

Abstract: REVIEW Semiconductor devices generally take advantage of the charge of electrons, whereas magnetic materials are used for recording information involving electron spin. To make use of both charge and spin of electrons in semiconductors, a high concentration of magnetic elements can be introduced in nonmagnetic III-V semiconductors currently in use for devices. Low solubility of magnetic elements was overcome by low-temperature nonequilibrium molecular beam epitaxial growth, and ferromagnetic (Ga,Mn)As was realized. Magnetotransport measurements revealed that the magnetic transition temperature can be as high as 110 kelvin. The origin of the ferromagnetic interaction is discussed. Multilayer heterostructures including resonant tunneling diodes (RTDs) have also successfully been fabricated. The magnetic coupling between two ferromagnetic (Ga,Mn)As films separated by a nonmagnetic layer indicated the critical role of the holes in the magnetic coupling. The magnetic coupling in all semiconductor ferromagnetic/nonmagnetic layered structures, together with the possibility of spin filtering in RTDs, shows the potential of the present material system for exploring new physics and for developing new functionality toward future electronics.

Ferromagnetic materials

Abstract: In this chapter, we will restrict our attention to the ferrites and a few other closely related materials. The great interest in ferrites stems from their unique combination of a spontaneous magnetization and a high electrical resistivity. The observed magnetization results from the difference in the magnetizations of two non-equivalent sub-lattices of the magnetic ions in the crystal structure. Materials of this type should strictly be designated as “ferrimagnetic” and in some respects are more closely related to anti-ferromagnetic substances than they are to ferromagnetics in which the magnetization results from the parallel alignment of all the magnetic moments present. We shall not adhere to this special nomenclature except to emphasize effects, which are due to the existence of the sub-lattices.

Spintronics: a challenge for materials science and solid-state chemistry.

Abstract: Spintronics is a multidisciplinary field involving physics, chemistry, and engineering, and is a new research area for solid-state scientists. A variety of new materials must be found to satisfy different demands. The search for ferromagnetic semiconductors and stable half-metallic ferromagnets with Curie temperatures higher than room temperature remains a priority for solid-state chemistry. A general understanding of structure-property relationships is a necessary prerequisite for the design of new materials. In this Review, the most important developments in the field of spintronics are described from the point of view of materials science.