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We present results of a numerical mean field treatment of interacting spins and carriers in doped diluted magnetic semiconductors, which takes into account the positional disorder present in these alloy systems. Disorder is found to enhance…

Disordered Systems and Neural Networks · Physics 2009-10-31 Mona Berciu , R. N. Bhatt

Magnetic properties of multicomponent alloys depend sensitively on the degree of atomic order on the different crystallographic sites. In this work we demonstrate the magnetic contrast between bulk and thin-film samples of the Heusler alloy…

Materials Science · Physics 2023-09-21 Ross Smith , Zsolt Gercsi , Rui Zhang , Katarzyna Estera Siewierska , Karsten Rode , J. M. D. Coey

The narrow gap semiconductor FeSi owes its strong paramagnetism to electron-correlation effects. Partial Co substitution for Fe produces a spin-polarized doped semiconductor. The spin-polarization causes suppression of the metallic…

Strongly Correlated Electrons · Physics 2009-11-11 F. P. Mena , J. F. DiTusa , D. van der Marel , G. Aeppli , D. P. Young , A. Damascelli , J. A. Mydosh

Within the same failure mode, iron has the lowest ideal tensile strength among the transition metals crystallizing in the body-centered cubic structure. Here, we demonstrate that this anomalously low strength of Fe originates partly from…

Materials Science · Physics 2014-07-02 Xiaoqing Li , Stephan Schönecker , Jijun Zhao , Börje Johansson , Levente Vitos

The effect of local environment on the formation of magnetic moments on Fe atoms in iron silicides are studied by combination of ab initio and model calculations. The suggested model includes all Fe d- and Si p-orbitals, intra-atomic…

Materials Science · Physics 2016-07-13 N. G. Zamkova , V. S. Zhandun , S. G. Ovchinnikov , I. S. Sandalov

The influence of a partial substitution with sulphur into Te sites on the crystal, electronic and magnetic structures of FeTe is investigated by DFT calculations. The results reveal a phase transition from the antiferromagnetic…

Superconductivity · Physics 2015-01-26 A. Ciechan , M. J. Winiarski , M. Samsel-Czekała

We present a machine-learning guided approach to predict saturation magnetization (MS) and coercivity (HC) in Fe-rich soft magnetic alloys, particularly Fe-Si-B systems. ML models trained on experimental data reveals that increasing Si and…

We have performed an experimental study on the temperature and field dependence of magnetization of a series of superconducting Mo$_{100-x}$Re$_x$ alloys. Our studies reveal the presence of high field paramagnetic effect (HFPME) in these…

Superconductivity · Physics 2018-03-30 Shyam Sundar , M K Chattopadhyay , L S Sharath Chandra , S B Roy

The magnetic properties of the $Fe_{1-x}Ru_x$ alloy system for 0 $\leq$ x $\leq$ 0.10 are studied by using a mean-field approximation based on the Bogoliubov inequality. Ferromagnetic Fe-Fe spin correlations and antiferromagnetic Fe-Ru and…

Statistical Mechanics · Physics 2015-05-13 C. Paduani , N. S. Branco

The influence of dilution with non--magnetic impurities on the order in the ground state of the $S=1/2$ Heisenberg antiferromagnet is investigated by Quantum Monte Carlo simulations. Data of the spin correlation functions and thermodynamic…

Condensed Matter · Physics 2007-05-23 J. Behre , S. Miyashita

The physical properties of metamagnetic Fe$_3$Ga$_4$ single crystals are investigated to explore the sensitivity of the magnetic states to temperature, magnetic field, and sample history. The data reveal a moderate anisotropy in the…

Ferromagnetic Weyl semi-metals exhibit an anomalous Hall effect, a consequence of their topological properties. In the non-interacting case, the derivative of the orbital magnetization with respect to chemical potential is proportional to…

Strongly Correlated Electrons · Physics 2019-04-05 S. Acheche , R. Nourafkan , A. -M. S. Tremblay

Effects of alloying on the electronic and magnetic properties of Mn$_{x}$Co$_{y}$ ($x+y$=$n$=2-5; $x$=0-$n$) and Mn$_2$Co$_{11}$ nanoalloy clusters are investigated using the density functional theory (DFT). Unlike the bulk alloy, the…

Atomic and Molecular Clusters · Physics 2008-07-24 Shreemoyee Ganguly , Mukul Kabir , Soumendu Datta , Biplab Sanyal , Abhijit Mookerjee

FeTexSe1-x (x=0, 0.25, 0.50, 0.75 and 1) system has been studied using density functional theory. Our results show that for FeSe, LDA seems better approximation in terms of magnitude of magnetic energy whereas GGA overestimates it largely.…

Superconductivity · Physics 2015-06-05 Jagdish Kumar , S. Auluck , P. K. Ahluwalia , V. P. S. Awana

We investigate theoretically the ground state of the FeMn binary alloy monolayer on the W(001) surface, the stability of different magnetic configurations (ferro/antiferromagnetic, disordered local moments, etc.) and estimate concentrations…

Materials Science · Physics 2009-09-29 M. Ondracek , J. Kudrnovsky , F. Maca

The generalized stacking fault (SFE) energy curves of pure gold (Au) and its binary alloys with transition metals are determined from density functional theory (DFT). Alloy elements Ag, Al, Cu, Ni, Ti, Zr, Zn, In, Ga, Sn, Mn, Cd, Sn, Ta and…

Despite of the importance of magnetism in possible relation to other key properties in iron-based superconductors, its understanding is still far from complete especially for FeSe systems. On one hand, the origin of the absence of magnetic…

Strongly Correlated Electrons · Physics 2020-10-05 Chang-Youn Moon

In this article, we investigated the effect of Cr substitution in place of Fe on the structural, magnetic and transport properties of $\mathrm{Co_2FeSi}$ alloy. A comprehensive structural analysis is done using X-ray diffraction (XRD) and…

Materials Science · Physics 2018-11-14 Deepika Rani , Jiban Kangsabanik , K. G. Suresh , N. Patra , D. Bhattacharyya , S. N. Jha , Aftab Alam

The physical properties of single-crystalline SmBe$_{13}$ with a NaZn$_{13}$-type cubic structure have been studied by electrical resistivity ($\rho$), specific heat ($C$), and magnetization ($M$) measurements in magnetic fields of up to 9…

Strongly Correlated Electrons · Physics 2017-06-14 Hiroyuki Hidaka , Seigo Yamazaki , Yusei Shimizu , Naoyuki Miura , Chihiro Tabata , Tatsuya Yanagisawa , Hiroshi Amitsuka

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$_{1-x}$…