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Multiferroic order with the engineered levels of strain in monolayer NiI$_{2}$ is explored based on density functional theory calculations and Monte Carlo simulations. Through the investigation of strain-free monolayer NiI$_{2}$, we find…

Materials Science · Physics 2022-09-28 Xiao-sheng Ni , Dao-Xin Yao , Kun Cao

Transition metal dihalides have recently garnered interest in the context of two-dimensional van der Waals magnets as their underlying geometrically frustrated triangular lattice leads to interesting competing exchange interactions. In…

Using \textit{ab initio} methodology, we reveal a strain-mediated approach to precisely tune the magnetoelectric coupling and spin-driven emergent polarization of NiX$_2$ (X = I, Br) monolayers. In the absence of strain, these systems…

Materials Science · Physics 2025-09-17 Ali Ghojavand , Cem Sevik , Milorad V. Milošević

Transition metal dihalides (MX$_2$, M= transition metal, X= halide) have attracted much attention recently due to their intriguing low-dimensional magnetic properties. Particular focus has been placed in this family in the context of…

Materials Science · Physics 2024-04-26 Soumen Bag , Jesse Kapeghian , Onur Erten , Antia S. Botana

The van der Waals (vdW) type-II multiferroic NiI$_2$ has emerged as a candidate for exploring non-collinear magnetism and magnetoelectric effects in the 2D limit. Frustrated intralayer exchange interactions on a triangular lattice result in…

Layered transition metal trichalcogenides with the chemical formula $ABX_3$ have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we…

Materials Science · Physics 2015-08-11 Nikhil Sivadas , Matthew W. Daniels , Robert H. Swendsen , Satoshi Okamoto , Di Xiao

We report neutron scattering experiments probing the influence of uniaxial strain on both the magnetic and structural order parameters in the parent iron pnictide compound, BaFe$_2$As$_2$. Our data show that modest strain fields along the…

The physical properties of two-dimensional van der Waals (2D vdW) crystals depend sensitively on the interlayer coupling, which is intimately connected to the stacking arrangement and the interlayer spacing. For example, simply changing the…

We study the magnetic and electronic properties of Ni-intercalated NbSe$_2$.We calculate the magnetic exchanges of Ni$_x$NbSe$_2$ ($x = 1/3, 1/4,$ and $1$) and find that the out-of-plane magnetic coupling depends on the Ni connectivity: it…

Materials Science · Physics 2025-11-20 Xujia Gong , Amar Fakhredine , Carmine Autieri

The change of bonding status, typically occurring only in chemical processes, could dramatically alter the material properties. Here, we show that a tunable breaking and forming of a diatomic bond can be achieved through physical means,…

Materials Science · Physics 2017-02-23 Yao Wang , Shan-Shan Wang , Yunhao Lu , Jianzhong Jiang , Shengyuan A. Yang

The effects of strain and hydrogenation on the electronic and magnetic properties of monolayers of Ta based dichalcogenides (TaX2; X = S, Se, Te) are investigated using density-functional theo-ry. We predict a complex scenario of…

Materials Science · Physics 2015-08-13 Priyanka Manchanda , Vinit Sharma , Hongbin Yu , D. J. Sellmyer , Ralph Skomski

Two-dimensional CrI3 has attracted much attention as it is reported to be a ferromagnetic semiconductor with the Curie temperature around 45K. By performing first-principles calculations, we find that the magnetic ground state of CrI3 is…

Computational Physics · Physics 2019-01-09 Zewen Wu , Jin Yu , Shengjun Yuan

A monolayer of CrI$_3$ is a two-dimensional crystal that in its equilibrium configuration is a ferromagnetic semiconductor, however, two coupled layers can be ferromagnetic or antiferromagnetic depending on the stacking. We study the…

Mesoscale and Nanoscale Physics · Physics 2020-04-07 Andrea Leon , J. W. González , J. Mejía-López , F. Crasto de Lima , E. Suárez Morell

The recent discovery of type-II multiferroicity in monolayer NiI${_2}$ indicated a new pathway for intrinsic magnetoelectric coupling in the two-dimensional limit. However, determining whether this phenomenon is a unique anomaly or a…

In a magnetically driven electronic nematic state, an externally applied uniaxial strain rounds the nematic transition and increases the magnetic transition temperature. We study both effects in a simple classical model of the…

Superconductivity · Physics 2016-11-26 Jiangping Hu , Chandan Setty , Steve Kivelson

Multiferroic materials have garnered wide interest for their exceptional static and dynamical magnetoelectric properties. In particular, type-II multiferroics exhibit an inversion-symmetry-breaking magnetic order which directly induces a…

We report on the interplay between atomic scale inhomogeneity and competing magnetic phases and its effect on the anomalous Hall effect in the layered antiferromagnet MnBi$_4$Te$_7$, a natural superlattice hosting coexisting ferromagnetic…

Strongly Correlated Electrons · Physics 2025-06-19 Nazma Firdosh , Shreyashi Sinha , Indraneel Sinha , Mainpal Singh , Satyabrata Patnaik , Sujit Manna

The temperature dependent crystal structure analysis in martensitic phase of Ni_2Mn_(1+x)Sn_(1-x) (x = 0.40 and 0.44) magnetic shape memory alloy is performed using X-ray diffraction. The martensitic phase consists of 4-Layered and…

Materials Science · Physics 2017-01-31 Soumyadipta Pal , Sandeep Singh , Chhayabrita Maji

Interlayer magnetic interactions play a pivotal role in determining the magnetic arrangement within van der Waals (vdW) magnets, and the remarkable tunability of these interactions through applied pressure further enhances their…

Materials Science · Physics 2024-04-16 Qiye Liu , Wenjie Su , Yue Gu , Xi Zhang , Xiuquan Xia , Le Wang , Ke Xiao , Xiaodong Cui , Xiaolong Zou , Bin Xi , Jia-Wei Mei , Jun-Feng Dai

Two dimensional magnetic materials, with tunable electronic properties could lead to new spintronic, magnetic and magneto-optic applications. Here, we explore intrinsic magnetic ordering in two dimensional monolayers of transition metal…

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