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We apply the density-functional theory to study various phases (including non-magnetic (NM), anti-ferromagnetic (AFM), and ferromagnetic (FM)) in monolayer magnetic chromium triiodide (CrI$_3$), a recently fabricated 2D magnetic material.…

Mesoscale and Nanoscale Physics · Physics 2018-10-17 Lucas Webster , Liangbo Liang , Jia-An Yan

In strongly correlated electronic systems, such as manganites, the global transport behavior depends sensitively on the spin ordering, whose alteration often requires a large external magnetic field. Here we show that the spin ordering in…

Strongly Correlated Electrons · Physics 2014-07-01 T. Z. Ward , Z. Gai , X. Y. Xu , H. W. Guo , L. F. Yin , J. Shen

We present a systematic study of the magnetic properties of L1$_0$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations show large magnetocrystalline anisotropies in the order…

Materials Science · Physics 2015-02-23 Alexander Edström , Jonathan Chico , Adam Jakobsson , Anders Bergman , Jan Rusz

Metallic ferromagnets with strongly interacting electrons often exhibit remarkable electronic phases such as ferromagnetic superconductivity, complex spin textures, and nontrivial topology. In this report, we discuss the synthesis of a…

The family of two-dimensional (2D) van der Waals transition metal phosphorus trichalcogenides has received a renewed interest due to their intrinsic 2D antiferromagnetism, which proves them as unprecedented and highly tunable building…

Materials Science · Physics 2025-12-18 Alberto M. Ruiz , Dorye L. Esteras , Andrey Rybakov , José J. Baldoví

The structure and static magnetic properties - saturation magnetization, perpendicular anisotropy, spectroscopic g-factor, and orbital magnetization - of thin-film 3d transition metal alloys are determined over the full range of alloy…

Quantum states of matter combining non-trivial topology and magnetism attract a lot of attention nowadays; the special focus is on magnetic topological insulators (MTIs) featuring quantum anomalous Hall and axion insulator phases.…

We show that charge ordered rare-earth nickelates of the type RNiO3 (R= Ho, Lu, Pr and Nd) are multiferroic with very large magnetically induced ferroelectric (FE) polarizations. This we determine from first principles electronic structure…

Strongly Correlated Electrons · Physics 2010-07-15 Gianluca Giovannetti , Sanjeev Kumar , Daniel Khomskii , Silvia Picozzi , Jeroen van den Brink

The engineering of magnetic order and electronic states in two-dimensional (2D) materials is pivotal for advanced spintronic technologies. Despite their potential, the scarcity of intrinsic 2D ferromagnets remains a critical challenge.…

Mesoscale and Nanoscale Physics · Physics 2025-03-17 Dong Liu , Sike Zeng , Ji-Hai Liao , Yu-Jun Zhao

Janus MXenes, a new category of two-dimensional (2D) materials, shows promising potential for advances in optoelectronics, spintronics and nanoelectronics. Our theoretical investigations not only provide interesting insights but also…

Materials Science · Physics 2024-01-12 Swetarekha Ram , Namitha Anna Koshi , Seung-Cheol Lee , Satadeep Bhattacharjee

V2O3 famously features all four combinations of paramagnetic vs antiferromagnetic, and metallic vs insulating states of matter in response to %-level doping, pressure in the GPa range, and temperature below 300 K. Using time-of-flight…

Diverse interlayer tunability of physical properties of two-dimensional layers mostly lies in the covalent-like quasi-bonding that is significant in electronic structures but rather weak for energetics. Such characteristics result in…

Materials Science · Physics 2019-04-03 Peiheng Jiang , Cong Wang , Dachuan Chen , Zhicheng Zhong , Zhe Yuan , Zhong-Yi Lu , Wei Ji

Stacking order can significantly influence the physical properties of two-dimensional (2D) van der Waals materials. The recent isolation of atomically thin magnetic materials opens the door for control and design of magnetism via stacking…

The Mn-Bi-Te family displaying magnetism and non-trivial topological properties has received extensive attention. Here, we predict that the antiferromagnetic structure of Mn$_{3}$Bi$_{2}$Te$_{6}$ with three MnTe layers is energetically…

Strongly Correlated Electrons · Physics 2023-04-11 Wen-Feng Wu , Han-Yu Wang , Wei-Hua Wang , Da-Yong Liu , Xiang-Long Yu , Zhi Zeng , Liang-Jian Zou

Fe$_{3-x}$GeTe$_2$ is a layered van der Waals magnetic material with a relatively high ordering temperature and large anisotropy. While most studies have concluded the interlayer ordering to be ferromagnetic, there have also been reports of…

Hexagonal antiferromagnetic D019-Mn3X (X = Sn, Ge, Ga) compounds, with a non-collinear Kagome spin structure, are Weyl semimetals exhibiting novel topological transport properties. The longitudinal magnetoresistance of c-oriented epitaxial…

From first-principles calculations, we predict that transition metal (TM) atom doped silicon nanowires have a half-metallic ground state. They are insulators for one spin-direction, but show metallic properties for the opposite spin…

Materials Science · Physics 2007-05-23 Engin Durgun , Deniz Cakir , Nurten Akman , Salim Ciraci

The occurrence of inhomogeneous spin-density distribution in multilayered ferromagnetic diluted magnetic semiconductor nanostructures leads to strong dependence of the spin-polarized transport properties on these systems. The spin-dependent…

Mixed halide chemistry has recently been utilized to tune the intrinsic magnetic properties of transition-metal halides $-$ one of the largest families of magnetic van der Waals materials. Prior studies have shown that the strength of…

Two-dimensional antiferromagnetism has long attracted significant interest in many areas of condensed matter physics, but only recently has experimental exploration become feasible due to the isolation of van der Waals antiferromagnetic…

Mesoscale and Nanoscale Physics · Physics 2025-11-21 Cheol-Yeon Cheon , Volodymyr Multian , Kenji Watanabe , Takashi Taniguchi , Alberto F. Morpurgo , Dmitry Lebedev
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