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With density functional theory, studied are the local magnetic moments in Fe-Al alloys depending on concentration and Fe nearest environment. At zero temperature, the system can be in different states: ferromagnetic, antiferromagnetic and…

Materials Science · Physics 2009-11-13 A. K. Arzhnikov , L. V. Dobysheva , M. A. Timirgazin

We present a detailed study of structural, magnetic and thermodynamic properties of a series of Heusler alloys Fe2-xMnxCrAl (x=0, 0.25, 0.5, 0.75 and 1). Structural investigation of this series is carried out using high resolution…

Materials Science · Physics 2019-11-06 Kavita Yadav , Mohit K. Sharma , Sanjay Singh , K. Mukherjee

A Magnetic Cluster Expansion (MCE) model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed using DFT data spanning binary and ternary alloy configurations. Using this MCE model Hamiltonian, we perform Monte Carlo…

Materials Science · Physics 2016-11-24 M. Y. Lavrentiev , J. S. Wróbel , D. Nguyen-Manh , S. L. Dudarev , M. G. Ganchenkova

Electronic structure calculations are used to examine the magnetic properties of Fe$_2$P-based alloys and the mechanisms through which the Curie temperature and magnetocrystalline anisotropy can be optimized for specific applications. It is…

Materials Science · Physics 2017-10-18 I. A. Zhuravlev , V. P. Antropov , A. Vishina , M. van Schilfgaarde , K. D. Belashchenko

The magnetic structure of the "nonmetallic metal" FeCrAs, a compound with the characters of both metals and insulators, was examined as a function of temperature using single-crystal neutron diffraction. The magnetic propagation vector was…

Strongly Correlated Electrons · Physics 2019-11-21 W. T. Jin , M. Meven , H. Deng , Y. Su , W. Wu , S. R. Julian , Young-june Kim

The ferrimagnetic insulator Mn3Si2Te6, which features a Curie temperature Tc at 78 K and a delicate yet consequential magnetic frustration, exhibits colossal magnetoresistance (CMR) when the magnetic field is applied along the magnetic hard…

Strongly Correlated Electrons · Physics 2022-11-02 Feng Ye , Masaaki Matsuda , Zachary Morgan , Todd Sherline , Yifei Ni , Hengdi Zhao , G. Cao

Fe3Si is a ferromagnetic material with possible applications in magnetic tunnel junctions. When doped with Mn, the material shows a complex magnetic behavior, as suggested by older experiments. We employed the Korringa-Kohn-Rostoker (KKR)…

Materials Science · Physics 2016-08-14 Marjana Ležaić , Phivos Mavropoulos , Stefan Blügel , Hubert Ebert

The finite-temperature magnetic properties of Fe$_x$Pd$_{1-x}$ and Co$_x$Pt$_{1-x}$ alloys have been investigated. It is shown that the temperature-dependent magnetic behaviour of alloys, composed of originally magnetic and non-magnetic…

Materials Science · Physics 2015-05-19 S. Polesya , S. Mankovsky , O. Sipr , and W. Meindl , C. Strunk , H. Ebert

Magnetic properties of a $\sigma-$Fe$_{16}$Cr$_{14}$ alloy calculated with the charge and spin self- consistent Korringa-Kohn-Rostoker (KKR) and combined with coherent potential approximation (KKR-CPA) methods are reported. Non-magnetic…

Materials Science · Physics 2015-05-20 J. Cieslak , J. Tobola , S. M. Dubiel , W. Sikora

The stability of Cr, V, Al carbide MAX phases, materials of interest for a variety of magnetic as well as high temperature applications, has been studied using density-functional-theory first-principles calculations. The enthalpy of mixing…

Materials Science · Physics 2019-01-02 Joas Grossi , Shafqat H. Shah , Emilio Artacho , Paul D. Bristowe

We present a comprehensive and systematic magnetization and ac susceptibility study of Mn$_{1-x}$Fe$_{x}$Si over an extensive range of ten Fe concentrations between $x$ = 0 - 0.32. With increasing Fe substitution, the critical temperature…

Materials Science · Physics 2018-11-29 Lars J. Bannenberg , Frank Weber , Anton J. E. Lefering , Thomas Wolf , Catharine Pappas

The structural, electronic and magnetic properties of small ${\rm Fe}_m {\rm Rh}_n$ clusters having $N = m+n \leq 8$ atoms are studied in the framework of a generalized-gradient approximation to density-functional theory. The correlation…

Atomic and Molecular Clusters · Physics 2011-10-13 Junais Habeeb Mokkath , G. M. Pastor

We present evidence for the existence of magnetic clusters of approximately 20 \AA in the strongly correlated alloy system CeNi$_{1-x}$Cu$_{x}$ (0.7 $\le$ x $\le$ 0.2) based on small angle neutron scattering experiments as well as the…

Strongly Correlated Electrons · Physics 2007-05-23 N. Marcano , J. C. Gomez Sal , J. I. Espeso , J. M. De Teresa , P. A. Algarabel , C. Paulsen , J. R. Iglesias

Contrary to prior calculations, the Ni-rich ordered structures of the Cr-Ni alloy system are found to be antiferromagnetic under semi-local density-functional theory. The optimization of local magnetic moments significantly increases the…

Materials Science · Physics 2023-08-23 Flynn Walsh , Robert O. Ritchie , Mark Asta

We report results of a muon spin rotation and relaxation ($\mu$SR) study of dilute Pd$_{1-x}$Ni$_x$ alloys, with emphasis on Ni concentrations $x =$ 0.0243 and 0.025. These are close to the critical value $x_\mathrm{cr}$ for the onset of…

The structural, electronic and magnetic properties of small ${\rm Fe}_m {\rm Rh}_n$ clusters having $N = m+n \leq 8$ atoms are studied in the framework of a generalized-gradient approximation to density-functional theory. For $N = m+n \leq…

Materials Science · Physics 2012-01-31 Junais Habeeb Mokkath , G. M. Pastor

Ferromagnetism is an exciting phase of matter exhibiting strongly correlated electron behavior and a standard example of spontaneously broken rotational symmetry: below the Curie temperature, atomic magnets in an isotropic single-domain…

Other Condensed Matter · Physics 2018-04-06 E. Solano-Carrillo

The spontaneous magnetization as a function of temperature is investigated for a number of disordered Ni-Fe-Mo and Ni-Fe-W alloys using superconducting quantum interference device magnetometry, with a focus on the low-T behavior as well as…

Materials Science · Physics 2015-05-20 Mitali Banerjee , Avinash Singh , A. K. Majumdar , A. K. Nigam

The magnetic properties of ThCr_2Si_2-type single crystals ACo_2Se_2 (A = K, Rb and Cs) have been investigated by magnetic susceptibility and isothermal magnetization measurements at various temperatures. The ferromagnetic phase transition…

Superconductivity · Physics 2013-08-15 Jinhu Yang , Bin Chen , Hangdong Wang , Qianhui Mao , Masaki Imai , Kazuyoshi Yoshimura , Minghu Fang

Magnetic properties of four sigma-phase Fe_(100-x)V_x samples with 34.4<x<55.1 were investigated by Mossbauer spectroscopy and magnetic measurements in the temperature interval 5-300 K. Four magnetic quantities viz. hyperfine field, Curie…

Materials Science · Physics 2010-01-11 Jakub Cieslak , Benilde F. O. Costa , Stanislaw M. Dubiel , Michael Reissner , Walter Steiner