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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

Magnetic anisotropy plays an essential role in information technology applications of magnetic materials, providing a means to retain the long-term stability of a magnetic state in the presence of thermal fluctuations. Anisotropy consists…

Materials Science · Physics 2020-08-05 Richard F. L. Evans , Levente Rózsa , Sarah Jenkins , Unai Atxitia

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…

Continuous miniaturization of magnetic units in spintronics and quantum computing devices inspires efforts to search for magnetic nanostructures with large magnetic anisotropy energy (MAE). Typical nanostructures including molecular…

Materials Science · Physics 2014-04-15 Jun Hu , Ruqian Wu

We introduce the notion of inverse effect of magnetostriction for magnetostrictive/piezoelectric heterostructures and study this effect theoretically and experimentally. It is shown that the inverse effect of magnetostriction may crucially…

Materials Science · Physics 2019-05-28 M. Auslender , E. Liverts , B. Zadov , A. Elmalem , A. Zhdanov , A. Grosz , E. Paperno

In 5d transition metal oxides, novel properties arise from the interplay of electron correlations and spin--orbit interactions. Na4IrO4, where 5d transition-metal Ir atom occupies the center of the square-planar coordination environment, is…

Materials Science · Physics 2017-12-01 Di Wang , Feng Tang , Yongping Du , Xiangang Wan

We present results of systematic fully relativistic first-principles calculations of the uniaxial magnetic anisotropy energy (MAE) of a disordered and partially ordered tetragonal Fe-Co alloy using the coherent potential approximation…

Materials Science · Physics 2012-12-04 Ilja Turek , Josef Kudrnovsky , Karel Carva

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

A systematic study is performed by the {\it ab-initio} density functional theory of the anisotropy of the orbital moments $<l_z>$ and the magnetic dipole term $<T_z>$ in bulk ${\rm CrO_2}$. Two different band-structure techniques are used…

Materials Science · Physics 2009-11-10 Matej Komelj , Claude Ederer , Manfred Faehnle

Even though it has been known for decades that the magnetocrystalline anisotropy is linked to the spin-orbit coupling (SOC), the mechanism how it arises for specific systems is still subject of debate. We focused on finding markers of SOC…

Materials Science · Physics 2016-05-17 Ondrej Sipr , Sergey Mankovsky , Svitlana Polesya , Sven Bornemann , Jan Minar , Hubert Ebert

We use first principles calculations to investigate how deviations from perfect chemical order affect the magneto-crystalline anisotropy energy (MAE) in L$1_0$ FeNi. We first analyze the local chemical environment of the Fe atoms in various…

Materials Science · Physics 2022-07-29 Mayan Si , Ankit Izardar , Claude Ederer

SmCo5 is an important hard magnetic material, due to its large magnetic anisotropy energy (MAE). We have studied the magnetic properties of SmCo5 using density functional theory (DFT) calculations where the Sm f-bands, which are difficult…

Materials Science · Physics 2009-11-10 P. Larson , I. I. Mazin , D. A. Papaconstantopoulos

Based on first-principles calculations, we predict that the magnetic anisotropy energy (MAE) of Co-doped TiO$_2$ sensitively depends on carrier accumulation. This magnetoelectric phenomenon provides a promising route to directly manipulate…

Materials Science · Physics 2013-01-21 Bin Shao , Min Feng , Hong Liu , Jian Wu , Xu Zuo

In the present work, we develop the Green's function apparatus and extend its applicability to the study of microscopic anisotropic effects in real conducting materials. The problem of the previously proposed approaches written in terms of…

Materials Science · Physics 2025-04-18 Ilya V. Kashin , Sergei N. Andreev

The dependence of the magnetocrystalline anisotropy energy (MAE) of MCo5 (M = Y, La) on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the…

Materials Science · Physics 2018-05-09 Manh Cuong Nguyen , Yongxin Yao , Cai-Zhuang Wang , Kai-Ming Ho , Vladimir P. Antropov

CrSb is a layered antiferromagnet (AFM) with perpendicular magnetic anisotropy, a high N\'{e}el temperature, and large spin-orbit coupling (SOC), which makes it interesting for AFM spintronic applications. To elucidate the various…

Materials Science · Physics 2021-01-04 In Jun Park , Sohee Kwon , Roger K. Lake

We present results of magnetic torque calculations using the fully relativistic spin-polarized Korringa-Kohn-Rostoker approach applied to small Co and Fe clusters deposited on the Pt(111) surface. From the magnetic torque one can derive…

Materials Science · Physics 2009-11-13 S. Bornemann , J. Minár , J. B. Staunton , J. Honolka , A. Enders , K. Kern , H. Ebert

The magnetic moments and magnetic anisotropy energy (MAE) of CoRh alloy nanoparticles are determined experimentally and theoretically. Non-trivial correlations between chemical order, magnetic order and MAE are revealed. A remarkable…

Materials Science · Physics 2015-05-13 M. Muñoz-Navia , J. Dorantes-Dávila , D. Zitoun , C. Amiens , N. Jaouen , A. Rogalev , M. Respaud , G. M. Pastor

A quantum-mechanical description of the magnetic shape anisotropy, that is usually ascribed to the classical magnetic dipole-dipole interaction, has been developed. This is achieved by including the Breit-interaction, that can be seen as an…

Materials Science · Physics 2015-03-17 S. Bornemann , J. Minar , J. Braun , D. Koedderitzsch , H. Ebert

In this contribution a magnetoactive elastomer (MAE) of mixed content, i.e., a polymer matrix filled with a mixture of magnetically soft and magnetically hard spherical particles, is considered. The object we focus at is an elementary unit…

Soft Condensed Matter · Physics 2022-10-26 Oleg V. Stolbov , Pedro A. Sánchez , Sofia S. Kantorovich , Yuriy L. Raikher