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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

We investigate MCA of CoFe(011) thin films as a function of strength of strain and film thickness has been studied. It is elucidated that perpendicular magnetocystalline anisotropy (MCA) energy (EMCA) is getting stronger with compressed…

Materials Science · Physics 2019-06-24 Eunsung Jekal , Phuong Dao

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 is a fundamental property of magnetic materials that determines the dynamics of magnetic precession, the frequency of spin waves, the thermal stability of magnetic domains, and the efficiency of spintronic…

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

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 report tight-binding (TB) and Density Function Theory (DFT) calculations of magnetocrystalline anisotropy energy (MAE) of free Fe (body centerd cubic) and Co (face centered cubic) slabs and nanocrystals. The nanocrystals are truncated…

Materials Science · Physics 2015-06-22 Dongzhe Li , Cyrille Barreteau , Martin R. Castell , Fabien Silly , Alexander Smogunov

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

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

We report an unusual, non-monotonous dependence of the exchange bias on the thickness of the ferromagnetic layer in a ferromagnet/antiferromagnet bilayer system. We show that in epitaxial CoO/Fe(110) bilayers, the evolution of the Fe…

Mesoscale and Nanoscale Physics · Physics 2017-09-29 M. Ślęzak , T. Ślęzak , P. Dróżdż , B. Matlak , K. Matlak , J. Korecki

The effects of the crystalline symmetry on the magnetotransport properties in ferromagnetic alloys are being reexamined in recent years particularly due to the role of the anisotropic magnetoresistance on the electrical detection of…

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

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

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

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

First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five $L1_0$ FeMe alloys (Me=Co, Cu, Pd, Pt, Au). We find that a second-order perturbation…

Materials Science · Physics 2020-12-14 M. Blanco-Rey , J. I. Cerda , A. Arnau

The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community due to the strong dependence of magnetic properties on composition, concentration, and structural geometry of diluted alloys. To address…

The interplay between magneto-electricity (ME) and magneto-elasticity (MEL) is studied in the context of voltage-controlled magnetic anisotropy (VCMA). Strain plays more than a role of changing lattice constant but that of the internal…

Materials Science · Physics 2020-07-01 Qurat-ul-ain , Dorj Odkhuu , S. H. Rhim , Soon Cheol Hong

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

To get a reliable ab-initio value for the magneto-crystalline anisotropy (MCA) energy of FePt, we employ the full-potential linearized augmented plane wave (FLAPW) method and the full-potential Korringa-Kohn-Rostoker (KKR) Green function…

Materials Science · Physics 2016-11-02 Saleem Ayaz Khan , Peter Blaha , Hubert Ebert , Jan Minár , Ondřej Šipr
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