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In this paper, we present the structural, electronic, magnetic and transport properties of a equiatomic quaternary alloy NbVTiAl. The absence of (111) and (200) peaks in X-ray diffraction (XRD) data confirms the A2-type structure.…

Materials Science · Physics 2022-03-14 Deepika Rani , Jiban Kangsabanik , K. G. Suresh , Aftab Alam

Using first-principles calculations based on density functional theory, we have studied the mechanical, electronic, and magnetic properties of Heusler alloys, namely, Ni$_{2}BC$ and Co$_{2}BC$ ($B$ = Sc, Ti, V, Cr and Mn as well as Y, Zr,…

Materials Science · Physics 2016-05-18 Tufan Roy , Dhanshree Pandey , Aparna Chakrabarti

MnBi2Te4 is a versatile platform for exploring diverse topological quantum states, yet its potential is hampered by intrinsic antisite defects. While Sb substitution has been employed to tune the Fermi level towards the charge neutral…

In this study, we employ the Wien2k code to conduct ab-initio study of a novel potential all-d-metal Heusler alloy Co$_2$MnNb. The analysis utilizes the comparison of local spin density approximations (LDA) with Perdew-Burke-Ernzerh…

Materials Science · Physics 2024-06-12 Sumit Kumar , Diwaker , Vivek Kumar , Karan S. Vinayak , Shyam Lal Gupta

The staggered magnetization of the Heisenberg antiferromagnet in two dimensions can be systematically approximated by a 1/N expansion. Cancellation between self energy diagrams leads to a Luttinger-like theorem for the ground state. We…

Condensed Matter · Physics 2009-10-22 Maxim Raykin , Assa Auerbach

We present here a comprehensive investigation of the magnetic ordering in Ni50Mn35In15 composition. A concomitant first order martensitic transition and the magnetic ordering occurring in this off-stoichiometric Heusler compound at room…

Materials Science · Physics 2009-11-13 P. A. Bhobe , K. R. Priolkar , A. K. Nigam

Because of large spatial separation of the Mn atoms in Heusler alloys the Mn 3d states belonging to different atoms do not overlap considerably. Therefore an indirect exchange interaction between Mn atoms should play a crucial role in the…

Materials Science · Physics 2009-11-13 E. Sasioglu , L. M. Sandratskii , P. Bruno

We have performed the powder neutron diffraction measurements on the solid solutions of SrRu_{1-x}Mn_xO_3, and found that the itinerant ferromagnetic order observed in pure SrRuO_3 changes into the C-type antiferromagnetic (AF) order with…

Strongly Correlated Electrons · Physics 2007-05-23 M. Yokoyama , C. Satoh , A. Saitou , H. Kawanaka , H. Bando , K. Ohoyama , Y. Nishihara

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

We investigate the electronic structure and magnetism of half-Heusler compounds XYZ (X, Y=V, Cr, Mn, Fe, Co and Ni; Z=Al, Ga, In, Si, Ge, Sn, P, As, and Sb) using the ab initio density functional theory calculations. Nine half-metals with…

Materials Science · Physics 2014-02-19 L. Feng , E. K. Liu , W. X. Zhang , W. H. Wang , G. H. Wu

We present a theoretical study of the exchange interaction in a system of spatially disordered magnetic moments. A typical example of such a system is an impurity semiconductor, whose magnetic properties are associated with the exchange…

Strongly Correlated Electrons · Physics 2025-06-25 N. A. Bogoslovskiy , P. V. Petrov , N. S. Averkiev

Antiferromagnetic (AF) order of U$_{2}$Pt$_{6}$Ga$_{15}$ with the ordering temperature $T_{\rm N}$ = 26 K was investigated by resonant X-ray scattering and neutron diffraction on single crystals. This compound possesses a unique crystal…

Strongly Correlated Electrons · Physics 2024-03-26 Chihiro Tabata , Fusako Kon , Kyugo Ota , Ruo Hibino , Yuji Matsumoto , Hiroshi Amitsuka , Hironori Nakao , Yoshinori Haga , Koji Kaneko

The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…

Strongly Correlated Electrons · Physics 2014-01-21 A. V. Ushakov , S. V. Streltsov , D. I. Khomskii

The two-dimensional Hubbard model with a bimodal distribution of on-site interactions, P(U_i) = (1-f)\delta(U_i-U) + f\delta(U_i), is studied using a finite temperature quantum Monte Carlo technique and dynamical mean-field theory. We find…

Strongly Correlated Electrons · Physics 2009-10-30 M. Ulmke , P. Denteneer , R. Scalettar , G. Zimanyi

Within the framework of the $s$-$d(f)$ exchange model in the mean-field approximation for square, simple cubic, body-centered and face-centered cubic lattices, the formation of a ferromagnetic, spiral, and commensurate antiferromagnetic…

Strongly Correlated Electrons · Physics 2021-07-14 A. K. Pankratova , P. A. Igoshev , V. Yu. Irkhin

We consider S=1/2 antiferromagnetic Heisenberg chains with alternating bonds and quenched disorder, which represents a theoretical model of the compound CuCl_{2x}Br_{2(1-x)}(\gamma-{pic})_2. Using a numerical implementation of the strong…

Disordered Systems and Neural Networks · Physics 2009-11-10 Yu-Cheng Lin , Heiko Rieger , Ferenc Iglói

Magnetization measurements on single-crystal cubic SrCuTe$_2$O$_6$ with an applied magnetic field of along three inequivalent high symmetry directions $[100]$, $[110]$, and $[111]$ reveal weak magnetic anisotropy. The fits of the magnetic…

Strongly Correlated Electrons · Physics 2020-10-14 P. Saeaun , Y. Zhao , P. Piyawongwatthana , T. J. Sato , F. C. Chou , M. Avdeev , G. Gitgeatpong , K. Matan

We discuss possible magnetic structures in UPt$_3$ based on our analysis of elastic neutron-scattering experiments in high magnetic fields at temperatures $T<T_N$. The existing experimental data can be explained by a single-{\bf q}…

Strongly Correlated Electrons · Physics 2009-10-31 Juana Moreno , J. A. Sauls

The half-metallic properties of a new and promising full-Heusler compound, Zr2CoSn, are investigated by means of ab initio calculations within the Density Functional Theory framework. The ferromagnetic ordered Hg2CuTi-type crystal structure…

Materials Science · Physics 2015-06-23 A. Birsan , V. Kuncser

Magnetic shape memory Heusler alloys are multiferroics stabilized by the correlations between electronic, magnetic and structural order. To study these correlations we use time resolved x-ray diffraction and magneto-optical Kerr effect…

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