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Related papers: MgN: a new promising material for spintronic appli…

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Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational prediction and realization of a new magnetic and…

The half-metallic half-Heusler alloy NiMnSb is a promising candidate for applications in spintronic devices due to its low magnetic damping and its rich anisotropies. Here we use ferromagnetic resonance (FMR) measurements and calculations…

We investigate the suitability of nearly half-metallic ferrimagnetic quaternary Heusler alloys, CoCrMnZ (Z=Al, Ga, Si, Ge) to assess the feasibility as electrode materials of MgO-based magnetic tunnel junctions (MTJ). Low magnetic moments…

Materials Science · Physics 2023-10-27 Tufan Roy , Masahito Tsujikawa , Masafumi Shirai

Using the first-principles density-functional theory plan-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive and interstitial doped monoclinic, tetragonal and cubic ZrO2 systematically. Our…

Materials Science · Physics 2015-05-13 Xingtao Jia , Wei Yang , Minghui Qin , Jianping Li

A recent report [Kiguchi {\it et al.}, Phys. Rev. B {\bf 68}, 115402 (2003)] that the (111) surface of 5 MgO layers grown epitaxially on Ag(111) becomes metallic to reduce the electric dipole moment raises a question of what will happen…

Materials Science · Physics 2009-11-10 Ryotaro Arita , Yoshiaki Tanida , Shiro Entani , Manabu Kiguchi , Koichiro Saiki , Hideo Aoki

The recent discovery of two-dimensional (2D) magnetic materials which are compound of transition metal (TM) with other elements, has opened new avenues for basic research on low-dimensional magnetism and potential applications in…

Mesoscale and Nanoscale Physics · Physics 2021-11-29 Xiaoxiong Ren , Junsheng Huang , Ping Li , Yun Zhang , Zhi-Xin Guo

We synthesized single crystals for Mn2-xZnxSb and studied their magnetic and electronic transport properties. This material system displays rich magnetic phase tunable with temperature and Zn composition. In addition, two groups of distinct…

We use density functional theory to study the structural, magnetic and electronic structure of the organo-metallic quantum magnet $\mathrm{NiCl_2-4SC(NH_2)_2}$ (DTN). Recent work has demonstrated the quasi-1D nature of the molecular crystal…

Mesoscale and Nanoscale Physics · Physics 2021-03-03 Maher Yazback , Jie-Xiang Yu , Shuanglong Liu , Long Zhang , Neil S. Sullivan , Hai-Ping Cheng

First principles total-energy pseudopotential calculations have been performed to investigate STM images of the (110) cross-sectional surface of Mn-doped GaAs. We have considered configurations with Mn in interstitial positions in the…

Materials Science · Physics 2007-05-23 A. Stroppa

The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

Materials Science · Physics 2025-07-08 Sujoy Datta , Prashant Singh

We study IrCrMnZ (Z=Al, Ga, Si, Ge) systems using first-principles calculations from the perspective of their application as the electrode materials of MgO-based MTJs. These materials have highly spin-polarized conduction electrons with…

Materials Science · Physics 2021-11-30 Tufan Roy , Masahito Tsujikawa , Masafumi Shirai

A new spintronic theory has been developed for the magnetic tunnel junction (MTJ) with single-crystal barrier. The barrier will be treated as a diffraction grating with intralayer periodicity, the diffracted waves of tunneling electrons…

Mesoscale and Nanoscale Physics · Physics 2016-04-19 Henan Fang , Mingwen Xiao , Wenbin Rui , Jun Du , Zhikuo Tao

High mobility of twin boundaries in modulated martensites of Ni-Mn-Ga-based ferromagnetic shape memory alloys holds a promise for unique magnetomechanical applications. This feature has not been fully understood so far, and in particular it…

The relative energetic stability of the structural phases of common antiferromagnetic transition-metal oxides (MnO, FeO, CoO, and NiO) within the semilocal and hybrid density functionals are fraught with difficulties. In particular, MnO is…

We introduce new type of ferromagnets, CaN and SrN, which were designed using first-principles calculations. These are half-metallic ferromagnets and they have magnetic moments of 1 $\mu_{\rm B}$ per chemical formula unit. Out of the…

Materials Science · Physics 2009-09-29 Masaaki Geshi , Koichi Kusakabe , Hitose Nagara , Naoshi Suzuki

We created epitaxial magnetic tunnel junctions of FeCo/MgO/EuS on MgO buffered Si (100). Tunnel magnetoresistance reached up to 64% at 4.2 K. An unexpected fast drop of magnetoresistance was recorded for MgO thickness above 1 nm, which is…

Materials Science · Physics 2016-08-09 Zhiwei Gao , Yihang Yang , Fen Liu , Qian Xue , Guo-Xing Miao

Spintronics, which is the basis of a low-power, beyond-CMOS technology for computational and memory devices, remains up to now entirely based on critical materials such as Co, heavy metals and rare-earths. Here, we show that Mn4N, a…

Materials Science · Physics 2019-03-05 T. Gushi , M. Jovičević Klug , J. Peña Garcia , H. Okuno , J. Vogel , J. P. Attané , T. Suemasu , S. Pizzini , L. Vila

We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a…

Materials Science · Physics 2018-01-12 Igor Di Marco , Andreas Held , Samara Keshavarz , Yaroslav O. Kvashnin , Liviu Chioncel

Thin Co-Mn-Sb films of different compositions were investigated and utilized as electrodes in alumina based magnetic tunnel junctions with CoFe counter electrode. The preparation conditions were optimized with respect to magnetic and…

The structural, electronic, and magnetic properties of half-Heusler alloys CKMg and SiKMg are studied by using first-principle density functional theory. The calculations reveal the SiKMg alloy is a half-metallic ferromagnet with the…

Materials Science · Physics 2015-06-11 Gang Lei , Xiao-Xiong Liu , Lei Li , Qiang Gao , Xian-Ru Hu , Jian-bo Deng