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Related papers: Structural and Magnetic Properties of Fe-Al alloys…

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Quaternary Heusler alloys Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure and spectroscopic properties were calculated using the full relativistic…

Fe-Co alloys with induced tetragonal strain are promising materials for rare-earth-free permanent magnets. However, as ultrathin-film studies have shown, tetragonal Fe-Co structures tend to a rapid relaxation toward a cubic structure as the…

Materials Science · Physics 2025-02-10 Wojciech Marciniak , Mirosław Werwiński

The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…

Materials Science · Physics 2017-03-22 Liqin Ke , Bruce N. Harmon , Matthew J. Kramer

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

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

We present a detailed structural investigation via neutron diffraction of differently heat treated samples Fe2VAl and Fe2+xV1-xAl. Moreover, the magnetic behaviour of these materials is studied by means of mSR and Mossbauer-experiments. Our…

Strongly Correlated Electrons · Physics 2009-11-07 I. Maksimov , D. Baabe , H. -H. Klauss , F. J. Litterst , R. Feyerherm , D. M. Toebbens , A. Matsushita , S. Suellow

We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…

We present a comprehensive first principles electronic structure study of the magnetoelastic and magnetostrictive properties in the Co-based Co$_2$XAl (X = V, Ti, Cr, Mn, Fe) full Heusler compounds. In addition to the commonly used total…

Materials Science · Physics 2020-09-09 Farzad Mahfouzi , Gregory P. Carman , Nicholas Kioussis

Resistivity, magnetic susceptibility, neutron scattering and x-ray crystallography measurements were used to study the evolution of magnetic order and crystallographic structure in single-crystal samples of the Ba1-xSrxFe2As2 and…

Superconductivity · Physics 2012-09-06 K. Kirshenbaum , N. P. Butch , S. R. Saha , P. Y. Zavalij , B. G. Ueland , J. W. Lynn , J. Paglione

We investigated the magnetic properties of Sendust (Fe-Al-Si) alloys not only at 0 K but also at finite-temperatures by means of the first-principles calculations assuming A2, B2, and DO3 structures. We confirmed that the itinerant…

Materials Science · Physics 2024-07-04 Shogo Yamashita , Akimasa Sakuma

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

This work reports on the bulk properties of the quaternary Heusler alloy Co$_2$Mn$_{1-x}$Fe$_x$Si with the Fe concentration $x=$. All samples, which were prepared by arc melting, exhibit $L2_1$ long range order over the complete range of Fe…

We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$ structure) being a promising candidate for rare-earth-free permanent magnets. We employ a…

Strongly Correlated Electrons · Physics 2022-06-02 A. S. Belozerov , A. A. Katanin , V. I. Anisimov

We present a systematic study of the magnetic properties of L1$_0$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations show large magnetocrystalline anisotropies in the order…

Materials Science · Physics 2015-02-23 Alexander Edström , Jonathan Chico , Adam Jakobsson , Anders Bergman , Jan Rusz

The elastic and magnetic properties, thermodynamical stability, deviation from stoichiometry and order/disorder transformations of phases that are relevant to Be alloys were investigated using density functional theory simulations coupled…

Materials Science · Physics 2015-04-01 Patrick A. Burr , Simon C. Middleburgh , Robin W. Grimes

The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well…

Materials Science · Physics 2009-11-10 A. V. Smirnov , W. A. Shelton , D. D. Johnson

The structural and magnetic properties of Fe$_{1-x}$Ni$_x$~($x$ = 0.32, 0.36, 0.40, 0.50) alloys have been investigated using synchrotron based x-ray diffraction (XRD) technique with x-rays of wavelength 0.63658 \AA\ down to 50 K…

We provide a systematic analysis of finite-temperature magnetic properties of random alloys Fe$_x$Ni$_{1-x}$ with the face-centered-cubic structure over a broad concentration range $x$. By means of the spin-polarized relativistic…

Materials Science · Physics 2021-12-06 G. V. Paradezhenko , D. Yudin , A. A. Pervishko

The structure, magnetic properties, and lattice dynamics of ordered Fe-Pt alloys with three stoichiometric compositions, Fe$_3$Pt, FePt and FePt$_3$, have been investigated using the density functional theory. Additionally, the existing…

Materials Science · Physics 2025-01-24 M. Sternik , S. Couet , J. Łażewski , P. T. Jochym , K. Parlinski , A. Vantomme , K. Temst , P. Piekarz

We report the structural and magnetic behavior of single phase inverse Heusler alloys Cr$_2$Co$_{(1-x)}$Cr$_x$Al ($x = $ 0, 0.2, 0.4) using x-ray diffraction (XRD), Raman spectroscopy, isothermal magnetization, and magnetic susceptibility…

Materials Science · Physics 2020-08-19 Manisha Srivastava , Guru Dutt Gupt , Priyanka Nehla , Anita Dhaka , R. S. Dhaka
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