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We report magneto-crystalline anisotropy (MCA) calculations of Fe, Co and Ni slabs of various thicknesses and crystallographic orientations from two Density Functional Theory codes based either on a plane wave or a local atomic basis set…

Materials Science · Physics 2020-01-08 Ludovic Le Laurent , Cyrille Barreteau , Troel Markussen

Understanding magnetocrystalline anisotropy (MCA) is fundamentally important for developing novel magnetic materials. Therefore, clarifying the relationship between MCA and local physical quantities observed by spectroscopic measurements,…

Materials Science · Physics 2022-10-19 Yoshio Miura , Jun Okabayashi

The magneto-crystalline anisotropy (MCA) of (Ga,Mn)As films has been studied on the basis of ab-initio electronic structure theory by performing magnetic torque calculations. An appreciable contribution to the in-plane uniaxial anisotropy…

Materials Science · Physics 2015-05-30 S. Mankovsky , S. Polesya , S. Bornemann , J. Minár , F. Hoffmann , C. H. Back , H. Ebert

In this work, we present a detailed theoretical investigation of the electronic and magnetic properties of ferromagnetic slabs and clusters deposited on SrTiO$\_3$ via first-principles, with a particular emphasis on the magneto-crystalline…

Materials Science · Physics 2016-04-13 Alexander Smogunov , Cyrille Barreteau , Dongzhe Li

We theoretically investigate magnetic anisotropy in materials with non-critical elements to determine which symmetry conditions and atomic shell filling favor enhanced magnetic anisotropy. We study the magnetocrystalline anisotropies (MCA)…

Materials Science · Physics 2025-07-08 Nica Jane B. Ferrer , Gregory A. Fiete

Ultra-thin film of FeRh on insulator MgO substrate has been investigated usingab-initio electronic structure calculations. From this calculation, we have found the interesting effect of epitaxial strain on the magnetocrystalline anisotropy…

Materials Science · Physics 2019-08-14 Henry Hoffmann , Eun Sung Jekal

Magnetocrystalline anisotropy (MCA) in doped Ce$_{2}$Co$_{17}$ and other competing structures was investigated using density functional theory. We confirmed that the MCA contribution from dumbbell Co sites is very negative. Replacing Co…

Materials Science · Physics 2018-04-11 Liqin Ke , D. A. Kukusta , Duane D. Johnson

The origin of large perpendicular magneto-crystalline anisotropy (PMCA) in Fe/MgO (001) is revealed by comparing Fe layers with and without the MgO. Although Fe-O $p$-$d$ hybridization is weakly present, it cannot be the main origin of the…

Materials Science · Physics 2016-04-29 Dorj Odkhuu , Won Seok Yun , S. H. Rhim , Soon-Cheol Hong

Voltage controlled magnetic anisotropy (VCMA) is an efficient way to manipulate the magnetization states in nanomagnets, promising for low-power spintronic applications. The underlying physical mechanism for VCMA is known to involve a…

Materials Science · Physics 2017-08-02 Jia Zhang , Pavel V. Lukashev , Sitaram S. Jaswal , Evgeny Y. Tsymbal

Element-specific orbital magnetic moments and their anisotropies in perpendicularly magnetised Co/Pd multilayers are investigated using Co L-edge and Pd M-edge angle-dependent x-ray magnetic circular dichroism. We show that the orbital…

Materials Science · Physics 2019-04-23 Jun Okabayashi , Yoshio Miura , Hiro Munekata

In this work we suggest a theoretical approach, that allows to study the effects of magnetocrystalline anisotropy (MCA) in metallic systems using the Green`s functions formalism. We demonstrate that employment of the reciprocal space…

Materials Science · Physics 2024-03-22 Ilya V. Kashin , Sergei N. Andreev

We have studied the magnetic properties of multilayers composed of ferromagnetic metal Co and heavy metals with strong spin orbit coupling (Pt and Ir). Multilayers with symmetric (ABA stacking) and asymmetric (ABC stacking) structures are…

We have studied the Co layer thickness dependences of magnetocrystalline anisotropy (MCA), Dzyaloshinskii-Moriya interaction (DMI), and orbital moment anisotropy (OMA) in W/Co/Pt trilayers, in order to clarify their correlations with each…

We systematically investigate the perpendicular magnetocrystalline anisotropy (MCA) in Co$-$Pt/Pd-based multilayers. Our magnetic measurement data shows that the asymmetric Co/Pd/Pt multilayer has a significantly larger perpendicular…

We carry out a systematic theoretical investigation of Magneto Crystalline Anisotropy (MCA) of L10 FePt clusters with alternating Fe and Pt planes along the (001) direction. We calculate the structural relaxation and magnetic moment of each…

Mesoscale and Nanoscale Physics · Physics 2015-08-19 Alamgir Kabir , Jun Hu , Volodymyr Turkowski , Ruqian Wu , Talat S. Rahman

Motivated in part by experiments performed by M.H. Pan et al. (nanoletters, v.5, p 83, 2005), we have undertaken a theoretical study of the the magnetic properties of two-monolayer thick Co nanoplatelets with an equilateral triangular…

Other Condensed Matter · Physics 2009-11-11 T. O. Strandberg , C. M. Canali , A. H. MacDonald

Co /CoO/Co polycrystalline film was grown on Si (001) substrate and magnetic properties have been investigated using in-situ magneto-optic Kerr effect during growth of the sample. Magnetic anisotropy with easy axis perpendicular to the film…

Materials Science · Physics 2023-01-31 Dileep Kumar , Ajay Gupta , P. Patidar , K. K. Pandey , T. Sant , S. M. Sharma

We performed ab initio computations of the magnetic properties of simple iron oxide clusters and slabs. We considered an iron oxide cluster functionalized by a molecule or glued to a gold cluster of the same size. We also considered a…

Mesoscale and Nanoscale Physics · Physics 2017-03-24 Katarzyna Brymora , Florent Calvayrac

Magnetic anisotropy is a key parameter to describe the exchange bias effect in heterostructures. In this paper, we describe explicit density functional calculations of the magnetic structure of an interface between the industrially…

Materials Science · Physics 2025-09-03 Robert A. Lawrence , Matt I. J. Probert

Magnetocrystalline anisotropy in transition metal alloys (FePt, CoPt, FePd, MnAl, MnGa, and FeCo) was studied using first-principles calculations to elucidate its specific mechanism. The tight-binding linear muffin-tin orbital method in the…

Materials Science · Physics 2014-03-04 Yohei Kota , Akimasa Sakuma
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