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Related papers: Finite-temperature magnetic properties of Sm2Fe17N…

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First-principles studies were performed on two Mn-based ferrimagnetic Heusler compounds with L21 and B2 structures, that is, Mn2VZ (Z = Al or Ga). The aim was to investigate their magnetic properties, electronic structures, and…

Materials Science · Physics 2025-12-23 Shogo Yamashita , Esita Pandey , Gerhard H. Fecher , Claudia Felser , Atsufumi Hirohata

The Ce$_2$Fe$_{17}$ intermetallic compound has been studied intensely for several decades; its low-temperature state is reported experimentally either as ferromagnetic or antiferromagnetic by different authors, with a measured ordering…

Materials Science · Physics 2022-02-17 Alena Vishina , Olle Eriksson , Olga Yu. Vekilova , Anders Bergman , Heike C. Herper

We present a data set of calculated Curie temperatures for the main-phase compounds of rare-earth permanent magnets. We employ ab initio electronic structure calculations for the itinerant ferromagnetism and an effective spin model for the…

Materials Science · Physics 2020-04-28 Munehisa Matsumoto , Hisazumi Akai

First principles density functional theory DFT+U calculations and experimental neutron diffraction structure analyses were used to determine the low-temperature crystallographic and magnetic structure of bixbyite Mn2O3. The energies of…

Materials Science · Physics 2013-05-20 Eric Cockayne , Igor Levin , Hui Wu , Anna Llobet

An extended atomistic spin model allowing for studies of the finite temperature magnetic properties of alloys is proposed. The model is obtained by extending the Heisenberg Hamiltonian via a parameterization from a first principles basis,…

Computational Physics · Physics 2017-06-07 Fan Pan , Jonathan Chico , Anna Delin , Anders Bergman , Lars Bergqvist

We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe$_{1-x}$Ni$_x$ alloy from a first principles. Calculated uniform magnetic susceptibilities have a…

Strongly Correlated Electrons · Physics 2016-05-24 Alexander I. Poteryaev , Nikolay A. Skorikov , Vladimir I. Anisimov , Michael A. Korotin

Noncollinear magnetic moments in antiferromagnets (AFM) lead to a complex behavior of electrical transport, even to a decreasing resistivity due to an increasing temperature. Proper treatment of such phenomena is required for understanding…

Materials Science · Physics 2020-06-19 David Wagenknecht , Karel Výborný , Karel Carva , Ilja Turek

After the discovery of the ARECh2 (A=alkali or monovalent ions, RE=rare-earth, Ch= chalcogen) triangular lattice quantum spin liquid (QSL) family, a series of its oxide, sulfide, and selenide counterparts has been consistently reported and…

Strongly Correlated Electrons · Physics 2024-08-20 Weiwei Liu , Zheng Zhang , Dayu Yan , Jianshu Li , Zhitao Zhang , Jianting Ji , Feng Jin , Youguo Shi , Qingming Zhang

We examine different models and methods for studying finite-temperature magnetic hysteresis in nanoparticles and ultrathin films. This includes micromagnetic results for the hysteresis of a single magnetic nanoparticle which is misaligned…

Materials Science · Physics 2007-05-23 M. A. Novotny , D. T. Robb , S. M. Stinnett , G. Brown , P. A. Rikvold

We present an ab initio quantum theory of the finite temperature magnetism of iron and nickel. A recently developed technique which combines dynamical mean-field theory with realistic electronic structure methods, successfully describes the…

Strongly Correlated Electrons · Physics 2007-05-23 A. I. Lichtenstein , M. I. Katsnelson , G. Kotliar

We have performed realistic atomistic simulations at finite temperatures using Monte Carlo and atomistic spin dynamics simulations incorporating quantum (Bose-Einstein) statistics. The description is much improved at low temperatures…

Materials Science · Physics 2018-01-10 Lars Bergqvist , Anders Bergman

The spinel compounds MnSc_2X_4 are highly frustrated and candidate materials for vortex-like 3q magnetic states, such as skyrmions, with propagation vectors in the [111] plane. Because of the strong magnetoelastic coupling, we could extract…

We employ a combination of machine learning and first-principles calculations to predict magnetic properties of rare-earth lean magnets. For this purpose, based on training set constructed out of experimental data, the machine is trained to…

Materials Science · Physics 2020-09-16 Anita Halder , Samir Rom , Aishwaryo Ghosh , Tanusri Saha-Dasgupta

Half-metallic ferromagnets can produce fully spin-polarized conduction electrons and can be applied to fabricate spintronic devices. Thus, in this study, the electronic structure, magnetic properties, and optical properties of GaSb, which…

Materials Science · Physics 2020-01-07 Chuang Wang , Wenhui Wan , Yanfeng Ge , Yong-Hong Zhao , Kaicheng Zhang , Yong Liu

We investigate the magnetic structure of Mn3-xFexSn2 using neutron powder diffraction experiments and electronic structure calculations. These alloys crystallize in the orthorhombic Ni3Sn2 type of structure (Pnma) and comprise two…

Materials Science · Physics 2013-09-03 Q. Recour , V. Ban , Z. Gercsi , T. Mazet , M. Francois , B. Malaman

We report electrical resistivity, magnetic and magnetocaloric properties in Sm0.7-xLaxSr0.3MnO3 series for x= 0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.65, and 0.7. All the compounds show second order paramagnetic to ferromagnetic transition at T…

Materials Science · Physics 2015-06-11 M. Aparnadevi , R. Mahendiran

By making use of some symmetry properties of the relevant Hamiltonian, two fundamental relations between the ferromagnetic magnetization and a spin correlation function are derived for the $d (=1,2,3)$-dimensional Hubbard model at finite…

Strongly Correlated Electrons · Physics 2009-10-31 Gang Su , Masuo Suzuki

Competing magnetic interactions in low-dimensional quantum magnets can lead to the exotic ground state with fractionalized excitations. Herein, we present our results on an S = 5/2 quasi-one-dimensional spin system Bi3FeMo2O12. The…

The effect of Ge substitution for Si in SmMMn2Si2-xGex compounds has been studied. The Sm ordering temperature is found to be much larger in the compound with x=2, as compared to the compounds with x=0 and 1. The increase in the intra layer…

Materials Science · Physics 2009-11-13 Pramod Kumar , K. G. Suresh , A. K. Nigam , S. K. Malik

We present the synthesis and study of the magnetic and electronic properties of NiFe2O4/{\gamma}-Al2O3/SrTiO3 heterostructure. The {\gamma}-Al2O3/SrTiO3 interface hosts a high-mobility two-dimensional electron gas (2DEG) with large…