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We present our findings of a large-scale screening for new synthesizable materials in five M-Sn binaries, M = Na, Ca, Cu, Pd, and Ag. The focus on these systems was motivated by the known richness of M-Sn properties with potential…

Materials Science · Physics 2025-07-10 Aidan Thorn , Daviti Gochitashvili , Saba Kharabadze , Aleksey N. Kolmogorov

Altermagnetism, a new class of collinear compensated magnetic phase, has garnered tremendous interest because of its rich physics and promising applications. Physical models and verified material candidates for altermagnetism remain…

Strongly Correlated Electrons · Physics 2025-04-28 Xingchuan Zhu , Xingmin Huo , Shiping Feng , Song-Bo Zhang , Shengyuan A. Yang , Huaiming Guo

Our Introduction starts with a short general review of the magnetic and structural properties of the Heusler compounds which are under discussion in this book. Then, more specifically, we come to the discussion of our experimental results…

Other Condensed Matter · Physics 2007-05-23 K. Westerholt , A. Bergmann , J. Grabis , A. Nefedov , H. Zabel

First-principles calculations are used to investigate the magnetic properties of Ti$_{1-x}$Cr$_{x}$N solid solutions. We show that the magnetic interactions between Cr spins that favour antiferromagnetism in CrN is changed upon alloying…

Materials Science · Physics 2010-12-14 B. Alling

Developing fast and accurate methods to discover intermetallic compounds is relevant for alloy design. While density-functional-theory (DFT)-based methods have accelerated design of binary and ternary alloys by providing rapid access to the…

Materials Science · Physics 2020-09-09 Zhaohan Zhang , Mu Li , Katharine Flores , Rohan Mishra

One important aspect of the magneto-structural transition in MnCoGe and related materials is the reduction in saturation magnetization from the orthorhombic to the hexagonal phase. Here, by combining an element specific magnetization probe…

Strongly Correlated Electrons · Physics 2016-04-20 F. Guillou , F. Wilhelm , O. Tegus , A. Rogalev

The structural, magnetic, and electronic properties of NdFe$_{0.5}$Mn$_{0.5}$O$_3$ have been studied in detail using bulk magnetization, neutron/x-ray diffraction and first principles density functional theory calculations. The material…

Strongly Correlated Electrons · Physics 2017-10-25 Ankita Singh , A. Jain , Avijeet Ray , B. Padmanabhan , S. M. Yusuf , T. Maitra , V. K. Malik

The interplay of electronic nematic modulations, magnetic order, superconductivity and structural distortions in strongly correlated electron materials calls for methods which allow characterizing them simultaneously - to allow establishing…

Strongly Correlated Electrons · Physics 2015-04-29 Udai Raj Singh , Ramakrishna Aluru , Yong Liu , Chengtian Lin , Peter Wahl

This paper reports formation enthalpies of phases in the Al-Mn-Pd ternary alloy system as calculated from first principles using electronic density functional theory. We consider all crystal structures as reported in the assessed phase…

Materials Science · Physics 2023-02-27 Marek Mihalkovic , Michael Widom

Recently, the magnetic moment/Mn, $M$, in Mn$_x$Si$_{1-x}$ was measured to be 5.0 $\mu_B$/Mn, at $x$ =0.1%. To understand this observed $M$, we investigate several Mn$_x$Si$_{1-x}$ models of alloys using first-principles density functional…

Materials Science · Physics 2012-01-24 Michael Shaughnessy , C. Y. Fong , Ryan Snow , Kai Liu , John Pask , Lin H. Yang

We report on the structural and magnetic properties of single and double atomic layers of Mn on a clean and unreconstructed Nb(110) substrate. Low-temperature scanning tunneling spectroscopy measurements reveal a proximity-induced…

Governed by specific symmetries, altermagnetism is an emerging field in condensed matter physics, characterized by unique spin-splitting of the bands in the momentum space co-existing with the compensated magnetization as in…

Recent advances in tools for crystal structure analysis enabled us to describe a new phenomenon in structural chemistry, which, to this day, has remained hidden. Here we describe a crystal structure with an incommensurate compositional…

Understanding the magnetic properties of the various Mn doping configurations that can be encountered in $2H$-MoS$_2$ monolayer could be beneficial for its use in spintronics. Using density functional theory plus Hubbard U (DFT$+$U)…

Materials Science · Physics 2019-09-04 Adlen Smiri , Iann Gerber , Samir Lounis , Sihem Jaziri

Magnetoelectric susceptibility of a metamaterial built from split ring resonators have been investigated both experimentally and within an equivalent circuit model. The absolute values have been shown to exceed by two orders of magnitude…

Materials Science · Physics 2011-03-03 A. M. Shuvaev , S. Engelbrecht , M. Wunderlich , A. Schneider , A. Pimenov

We examine the feasibility of a simple description of Mn ions in III-V diluted magnetic semiconductors (DMSs) in terms of two species (components), motivated by the expectation that the Mn-hole exchange couplings are widely distributed,…

Disordered Systems and Neural Networks · Physics 2009-11-07 Malcolm P. Kennett , Mona Berciu , R. N. Bhatt

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 temperature dependent single crystal x-ray diffraction study of twinned orthorhombic perovskites La1-xCaxMnO3, for x=0.16 and x=0.25. These data show the evolution of the crystal structure from the ferromagnetic insulating…

Materials Science · Physics 2009-11-07 Bas B. Van Aken , Auke Meetsma , Y. Tomioka , Y. Tokura , Thomas T. M. Palstra

We present evidence for the existence of magnetic clusters of approximately 20 \AA in the strongly correlated alloy system CeNi$_{1-x}$Cu$_{x}$ (0.7 $\le$ x $\le$ 0.2) based on small angle neutron scattering experiments as well as the…

Strongly Correlated Electrons · Physics 2007-05-23 N. Marcano , J. C. Gomez Sal , J. I. Espeso , J. M. De Teresa , P. A. Algarabel , C. Paulsen , J. R. Iglesias

The hexagonal MnTe is a prime material candidate for altermagnets, an emerging class of magnetic compounds characterized by the nontrivial interplay of antiparallel spin arrangements with their underlying crystal structures. Recognizing…

Materials Science · Physics 2025-03-25 Ao Wu , Di Cheng , Xinyun Wang , Meng Zeng , Chang Liu , Xinwei Li
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