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Short-range order (SRO) alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In this study, we present a generalized spin cluster expansion…

Materials Science · Physics 2024-05-08 Tianyu Su , Brian J. Blankenau , Namhoon Kim , Jessica A. Krogstad , Elif Ertekin

The equilibrium vacancy concentration in multi-principal element alloys remains a controversial and nontrivial subject, primarily because of chemical complexity and chemical short-range order (CSRO). Here we derive an exact expression that…

Materials Science · Physics 2025-12-30 Hao Tang , Hoje Chun , Rafael Gomez-Bombarelli , Yuri Mishin , Ju Li

We use first-principles-based calculations to investigate the interplay between chemical order and the magnetic properties of $L1_0$ FeNi. In particular, we investigate how deviations from perfect chemical order affect the energy difference…

Materials Science · Physics 2022-06-14 Ankit Izardar , Claude Ederer

The stability and magnonic properties of double-layered antiferromagnets are investigated using two model systems, a linear chain (LC) and a more complex chain of railroad trestle (RT) geometry, and the results are confronted with…

Strongly Correlated Electrons · Physics 2026-02-11 Seo-Jin Kim , Zdeněk Jirák , Jiří Hejtmánek , Karel Knížek , Helge Rosner , Kyo-Hoon Ahn

To obtain comprehensive performance, heavy elements were added into superalloys for solid solution hardening. In this article, it is found by scanning transmission electron microscope observation that rather than distribute randomly…

Materials Science · Physics 2017-02-08 Yushi Luo , Lihui Zhang , Yumei Wang , Binghui Ge , Wei Guo , Jie Zhan , Jianxin zhang , Jing Zhu

Kagome metals have established a new arena for correlated electron physics. To date, the predominant experimental evidence centers around unconventional charge order, nematicity, and superconductivity, while magnetic fluctuations due to…

Spin-spin correlations and microscopic origin of net magnetization in the spin-1 trimer chain compound CaNi3P4O14 have been investigated by powder neutron diffraction. The present study reveals a 3D long-range magnetic ordering below 16 K…

Strongly Correlated Electrons · Physics 2016-05-27 A. K. Bera , S. M. Yusuf , Amit Kumar , M. Majumder , K. Ghoshray , L. Keller

Metallic alloys often form phases - known as solid solutions - in which chemical elements are spread out on the same crystal lattice in an almost random manner. The tendency of certain chemical motifs to be more common than others is known…

Materials Science · Physics 2024-06-21 Killian Sheriff , Yifan Cao , Tess Smidt , Rodrigo Freitas

Magnetic ordering phenomena have a profound influence on the macroscopic properties of correlated-electron materials, but their realistic prediction remains a formidable challenge. An archetypical example is the ternary nickel oxide system…

Doped Heusler compounds Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure of the ordered, doped Heusler compound Co$_2$Cr$_{1-x}$Fe$_{x}$Al ($x=n/4,…

High temperature atomic configurations of fcc Fe-Cr-Ni alloys with alloy composition close to austenitic steel are studied in statistical thermodynamic simulations with effective interactions obtained in ab initio calculations. The latter…

Materials Science · Physics 2016-09-21 Andrei V. Ruban , Mohammad Dehghani

Magnetic order typically emerges due to the short-range exchange interaction between the constituent electronic spins. Recent discoveries have found a crucial role for spin-phonon coupling in various phenomena from optical ultrafast…

Mesoscale and Nanoscale Physics · Physics 2024-05-16 Petros Andreas Pantazopoulos , Johannes Feist , Francisco J. García-Vidal , Akashdeep Kamra

We consider a problem of superconductivity coexistence with the spin-density-wave order in disordered multiband metals. It is assumed that random variations of the disorder potential on short length scales render the interactions between…

Superconductivity · Physics 2021-07-28 Maxim Dzero , Alex Levchenko

The recent synthesis of the chromium selenide compound LiCrSe$_2$ constitutes a valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets (2D-TLA). In this work we present the very first comprehensive study of…

Using an all-electron, first principles, Landau-type theory, we study the nature of short-range order and compositional phase stability in equiatomic refractory high entropy alloys, NbMoTa, NbMoTaW, and VNbMoTaW. We also investigate…

Materials Science · Physics 2024-03-13 Christopher D. Woodgate , Julie B. Staunton

The magnetic phase diagram of Sr$_{1-x}$Ca$_x$Co$_2$P$_2$ as a function of hydrostatic pressure and temperature is investigated by means of high pressure muon spin rotation, relaxation and resonance ($\mu^+$SR). The weak pressure dependence…

Long range magnetic ordering in the quasi-one-dimensional random-bond antiferromagnet BaCu$_2$(Si$_{1-x}$Ge$_{x}$)$_2$O$_7$ is studied in $\mu$SR experiments as a function of disorder strength. Compared to the disorder-free parent…

Strongly Correlated Electrons · Physics 2014-12-04 M. Thede , T. Haku , T. Masuda , C. Baines , E. Pomjakushina , G. Dhalenne , A. Revcolevschi , E. Morenzoni , A. Zheludev

CoPt or FePt equiatomic alloys order according to the tetragonal L10 structure which favors their strong magnetic anisotropy. Conversely magnetism can influence chemical ordering. We present here {\it ab initio} calculations of the…

Materials Science · Physics 2015-06-04 Sondes Karoui , Hakim Amara , Bernard Legrand , François Ducastelle

Polycrystalline samples of the Y-diluted antiferromagnet CeNiGe3 (T_N = 5.5 K) and Th-diluted ferromagnet UNiSi2 (T_C = 95 K) were studied by means of x-ray powder diffraction, magnetization and specific heat measurements performed in a…

Strongly Correlated Electrons · Physics 2012-06-21 Adam P. Pikul

Neutron scattering studies have been carried out on polycrystalline samples of a series of rare earth intermetallic compounds RCuAs$_2$ (R = Pr, Nd, Dy, Tb, Ho and Yb) as a function of temperature to determine the magnetic structures and…

Materials Science · Physics 2017-07-19 Y. Zhao , J. W. Lynn , Gohil S. Thakur , Zeba Haque , L. C. Gupta , A K Ganguli