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The performance of advanced magnetic tunnel junctions build of ferromagnetic (FM) electrodes and MgO as insulating barrier depends decisively on the properties of the FM/insulator interface. Here, we investigate interface formation between…

The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg,…

Materials Science · Physics 2025-08-25 Amar Kumar , Mitali , Sujeet Chaudhary , Sharat Chandra

The electronic structure and spin-dependent tunneling in epitaxial Fe/MgO/Fe(001) tunnel junctions are studied using first-principles calculations. For small MgO barrier thickness the minority-spin resonant bands at the two interfaces make…

Materials Science · Physics 2007-08-16 K. D. Belashchenko , J. Velev , E. Y. Tsymbal

Using first-principles calculations, we studied Mn$_2$RuZ (Z=Al, Ga, Si, Ge) and their heterojunctions with MgO along (001) direction. All these alloys possess Hg$_2$CuTi-type inverse Heusler alloy structure and ferrimagnetic ground state.…

Materials Science · Physics 2021-05-26 Tufan Roy , Masahito Tsujikawa , Masafumi Shirai

We present a novel approach to study the spin and symmetry electronic properties of buried interfaces using low-energy spin-resolved photoemission spectroscopy. We show that this method is sensitive to interfaces buried below more than 20ML…

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

The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi and MgO have been investigated using first-principles density-functional calculations with projector augmented wave potentials…

Mesoscale and Nanoscale Physics · Physics 2014-09-19 Rui-Jing Zhang , Ulrich Eckern , Udo Schwingenschlögl

Many Heusler compounds are predicted to be ferromagnetic half metals in the bulk, which makes them promising compounds for spintronics. However, for devices the transport spin polarization at specific interfaces requires optimization. We…

Mesoscale and Nanoscale Physics · Physics 2019-04-18 C. Lidig , J. Cramer , L. Weißhoff , T. R. Thomas , T. Kessler , M. Kläui , M. Jourdan

We study the properties of ThCr$_2$Si$_2$ structure BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ using density functional calculations of the electronic and magnetic as well experimental measurements on single crystal samples of BaMn$_2$As$_2$. These…

Materials Science · Physics 2009-02-25 J. an , A. S. Sefat , D. J. Singh , M. H. Du

Magnetoelectric effects are investigated ab-initio at the interface between half-metallic and ferroelectric prototypes: Heusler Co$_2$MnSi and perovskite BaTiO$_3$. For the Co-termination ferroelectricity develops in BaTiO$_3$ down to…

Materials Science · Physics 2009-11-13 Kunihiko Yamauchi , Biplab Sanyal , Silvia Picozzi

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…

Half-metallic Co-based full Heusler alloys have captured considerable attention of the researchers in the realm of spintronic applications, owing to their remarkable characteristics such as exceptionally high spin polarization at Fermi…

Applied Physics · Physics 2023-09-19 Joydipto Bhattacharya , Ashima Rawat , Ranjit Pati , Aparna Chakrabarti , Ravindra Pandey

Magnetic and electronic transport properties of Co$_2$MnZ (Z = Al, Ga, Ge, Si, Sn) Heusler alloys were experimentally investigated. Electrical resistivity, in the temperature range from 4.2 to 300 K, as well as field dependences of the Hall…

The electronic transport and spincaloric properties of epitaxial magnetic tunnel junctions with half-metallic Co$_2$MnSi Heusler electrodes, MgO tunneling barriers, and different interface terminations are investigated by using…

Materials Science · Physics 2018-05-16 Benjamin Geisler , Peter Kratzer

In spintronics, one of the long standing questions is why the MgO-based magnetic tunnel junction (MTJ) is almost the only option to achieve a large tunnelling magnetoresistance (TMR) ratio at room temperature (RT) but not as large as the…

Following demands for materials with peculiar transport properties, e.g. in magnetoelectronics or thermoelectrics, there is a need for materials modeling at the quantum-mechanical level. We combine density-functional with various…

Materials Science · Physics 2010-11-02 Peter Kratzer , Vladimir M. Fomin , B. Hülsen , M. Scheffler

In order to combine silicon technology with the functionality of magnetic systems, a number of ferromagnetic (FM) materials have been suggested for the fabrication of metal/semiconductor heterojunctions. In this work, we present a…

Materials Science · Physics 2007-05-23 Hua Wu , Peter Kratzer , Matthias Scheffler

We theoretically study the tunnel magnetoresistance (TMR) effect in (111)-oriented junctions Co/MgO/Co(111) and Ni/MgO/Ni(111). The Co-based junction is shown to have a TMR ratio over 2000$\%$, which is one order higher than that of the…

Materials Science · Physics 2020-04-08 Keisuke Masuda , Hiroyoshi Itoh , Yoshio Miura

We report on systematic ab-initio investigations of Co and Cr interlayers embedded in Fe(001)/MgO/Fe(001) magnetic tunnel junctions, focusing on the changes of the electronic structure and the transport properties with interlayer thickness.…

Materials Science · Physics 2013-05-29 P. Bose , P. Zahn , J. Henk , I. Mertig

We present state-of-the-art electronic structure calculations for the Co$_2$MnSn full-Heusler alloy. We show that in its bulk form it is a half-metallic ferromagnet with the Fermi level being located within a tiny gap of the minority-spin…

Materials Science · Physics 2011-01-28 I. Galanakis
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