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On the basis of density functional calculations, we report on a comprehensive study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic properties for Fe$_2$Ni$_{1+x}$Al$_{1-x}$…

Neutron diffraction measurements of a high quality single crystal of CaFe2As2 are reported. A sharp transition was observed between the high temperature tetragonal and low temperature orthorhombic structures at TS = 172.5K (on cooling) and…

Ab initio calculations of the spin wave stiffness constant $D$ for elemental Fe and Ni performed by different groups in the past have led to values with a considerable spread of 50-100 %. We present results for the stiffness constant $D$ of…

Materials Science · Physics 2020-04-15 Ondrej Sipr , Sergey Mankovsky , Hubert Ebert

We report on structural, magnetic and magnetocaloric properties of MnxFe1.95-xP0.50Si0.50 (x > 1.10) compounds. With increasing the Mn:Fe ratio, a first-order magneto-elastic transition gradually changes into a first-order…

Materials Science · Physics 2012-06-01 N. H. Dung , L. Zhang , Z. Q. Ou , E. Brück

We have synthesized polycrystalline samples and single crystals of Fe(Te1-xSx)y, and characterized their properties. Our results show that the solid solution of S in this system is limited, < 30%. We observed superconductivity at ~ 9 K in…

Superconductivity · Physics 2008-11-24 M. H. Fang , B. Qian , H. M. Pham , J. H. Yang , T. J. Liu , E. K. Vehstedt , L. Spinu , Z. Q. Mao

The newly discovered CaFe$_4$As$_3$ system displays low-temperature Fermi liquid behavior, with enhanced electron-electron correlations. At high temperatures, the magnetic susceptibility shows Curie-Weiss behavior, with a large…

Strongly Correlated Electrons · Physics 2009-04-28 Liang L. Zhao , Tanghong Yi , James C. Fettinger , Susan M. Kauzlarich , E. Morosan

A low-order finite element method is constructed and analysed for an incompressible non-Newtonian flow problem with power-law rheology. The method is based on a continuous piecewise linear approximation of the velocity field and piecewise…

Numerical Analysis · Mathematics 2021-07-28 Gabriel R. Barrenechea , Endre Suli

Inelastic and elastic neutron scattering have been used to study a single crystal of the Ni$_{54}$Mn$_{23}$Al$_{23}$ Heusler alloy over a broad temperature range. The paper reports the first experimental determination of the low-lying…

By means of first principles calculations, we have systematically investigated how the magnetodynamic properties Gilbert damping, magnetization and exchange stiffness are affected when permalloy (Py) (Fe$_{0.19}$Ni$_{0.81}$) is doped with…

Materials Science · Physics 2017-02-17 Fan Pan , Jonathan Chico , Johan Hellsvik , Anna Delin , Anders Bergman , Lars Bergqvist

Experimentally discovered compounds in the iron-nitrogen system belong to the low concentration part of the Fe-N phase diagram. In our paper, which is based on ab initio calculations we have studied formation and stability of high-pressure…

Materials Science · Physics 2019-03-27 Alexey Kartsev , Oleg Feya , Nina Bondarenko , Alexander G. Kvashnin , Artem Oganov

We present first principles exploration of 529 Fe$_3$XY$_2$ compounds, where $X$ and $Y$ elements are selected from the $p$-block of the periodic table. Out of the entire set, 31 compounds satisfy all criteria for energetic, dynamic,…

Materials Science · Physics 2025-09-03 Soheil Ershadrad , Biplab Sanyal

We study the phase behaviour of the Al$_x$CrFeCoNi high-entropy alloy. Our approach is based on a perturbative analysis of the internal energy of the paramagnetic solid solution as evaluated within the Korringa-Kohn-Rostoker formulation of…

Materials Science · Physics 2024-12-02 Christopher D. Woodgate , George A. Marchant , Livia B. Pártay , Julie B. Staunton

We report the discovery of a giant out-of-plane coercivity in the Fe-doped Mn3Sn single crystals. The compound of Mn2.42Fe0.58Sn exhibits a series of magnetic transitions accompanying with large magnetic anisotropy and electric transport…

Applied Physics · Physics 2023-10-31 Weihao Shen , Yalei Huang , Xinyu Yao , Fangyi Qi , Guixin Cao

We present an ab initio theory of the spin-wave stiffness tensor for ordered and disordered itinerant ferromagnets with pair exchange interactions derived from a method of infinitesimal spin rotations. The resulting formula bears an…

Materials Science · Physics 2020-04-15 Ilja Turek , Josef Kudrnovsky , Vaclav Drchal

The nature of the nematic state in FeSe remains one of the major unsolved mysteries in Fe- based superconductors. Both spin and orbital physics have been invoked to explain the origin of this phase. Here we present experimental evidence for…

Superconductivity · Physics 2018-03-28 Mingquan He , Liran Wang , Frédéric Hardy , Liping Xu , Thomas Wolf , Peter Adelmann , Christoph Meingast

In a number of systems, including certain semiconductors and unconventional superconductors, the effective density of states varies near the Fermi energy like $|E-E_F|^r$. The behavior of dilute magnetic impurities in such systems is…

Condensed Matter · Physics 2009-10-28 Kevin Ingersent

Critical hysteresis in ferromagnets is investigated through a $N$-component spin model with random anisotropies, more prevalent experimentally than the random fields used in most theoretical studies. Metastability, and the tensorial nature…

Materials Science · Physics 2009-11-10 Rava A. da Silveira , Stefano Zapperi

The pursuit of high-performance, rare-earth-free magnetostrictive materials is crucial for advancing technologies in sensing, actuation, and microelectromechanical systems. Heusler alloys represent a promising, yet underexplored, class of…

Materials Science · Physics 2026-03-31 Pengju Wu , Jie Du , Liang Yao , Hang Li , Xiaodong Zhou , Tao Zhu , Wenhong Wang

In this paper, we investigate the half-metallicity of Heusler alloys Fe2Co1-xCrxSi by first principles calculations and anisotropy magnetoresistance measurements. It is found that, with the increase of Cr content x, the Fermi level of…

Materials Science · Physics 2013-04-10 Y. Du , G. Z. Xu , E. K. Liu , G. J. Li , H. G. Zhang , S. Y. Yu , W. H. Wang , G. H. Wu

We report the first results of time-dependent density functional simulations of magnetic properties of Fe and Ni at finite temperatures. They reveal the existence of local moments in Ni above the Curie temperature, coupled to strong short…

Materials Science · Physics 2007-05-23 Vladimir Antropov