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Topological semimetals in ferromagnetic materials have attracted enormous attention due to the potential applications in spintronics. Using the first-principles density functional theory together with an effective lattice model, here we…

Materials Science · Physics 2019-06-12 Xiaodong Zhou , Run-Wu Zhang , Zeying Zhang , Da-Shuai Ma , Wanxiang Feng , Yuriy Mokrousov , Yugui Yao

It is essential to explore two-dimensional (2D) material with magnetic ordering in new generation spintronic devices. Particularly, the seeking of room-temperature 2D ferromagnetic (FM) materials is a hot topic of current research. Here, we…

Mesoscale and Nanoscale Physics · Physics 2018-09-07 Chang-Wei Wu , Jun-Han Huang , Dao-Xin Yao

Two-dimensional (2D) multiferroic materials with controllable magnetism have promising prospects in miniaturized quantum device applications, such as high-density data storage and spintronic devices. Here, using first-principles…

Materials Science · Physics 2021-12-22 Shaowen Xu , Fanhao Jia , Xuli Cheng , Wei Ren

Motivated by the recent wealth of exotic magnetic phases emerging in two-dimensional frustrated lattices, we investigate the origin of possible magnetism in the monolayer family of triangular lattice materials $MX_2$ ($M$={V, Mn, Ni},…

Two-dimensional (2D) layered magnetic materials are generating a great amount of interest for the next generation of electronic devices thanks to their remarkable properties associated to spin dynamics. The recently discovered layered…

Transition metal phosphorous trichalcogenides, $M{\rm P}X_3$ ($M$ and $X$ being transition metal and chalcogen elements respectively), have been the focus of substantial interest recently because of their possible magnetism in the…

Strongly Correlated Electrons · Physics 2019-12-05 Heung-Sik Kim , David Vanderbilt , Kristjan Haule

Altermagnets, a novel class of collinear magnetic materials, exhibit unique spin-split band structures, yet topological insulating states in intrinsic altermagnetic systems are rare. Here, we identify monolayer Fe$_2X_2$O ($X$ = Cl, Br, I)…

Materials Science · Physics 2026-01-22 Yong-Kun Wang , Si Li , Shengyuan A. Yang

Monolayer NiI$_2$ garners large research interest due to its multiferroic behavior stemming from the interplay between its non-collinear magnetic order and the spin-orbit coupling. This prompts an investigation into the stability of the…

Mesoscale and Nanoscale Physics · Physics 2025-09-17 Ali Ghojavand , Maarten Soenen , Nafise Rezaei , Mojtaba Alaei , Cem Sevik , Milorad V. Milošević

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…

Theoretical and experimental studies present that metal halogens in MX$_3$ forms can show very interesting electronic and magnetic properties in their bulk and monolayer phases. Many MX$_3$ materials have layered structures in their bulk…

Magnetic materials with high mobilities are intriguing subject of research from both fundamental and application perspectives. Based on first-principle calculations, we investigate the physical properties of the already synthesized AMnBi(A…

Mesoscale and Nanoscale Physics · Physics 2020-08-05 Ziming Zhu , Chunyan Liao , Si Li , Xiaoming Zhang , Weikang Wu , Zhi-Ming Yu , Rui Yu , Wei Zhang , Shengyuan A. Yang

From magnetic susceptibility, dielectric permittivity, electric polarization and specific heat measurements, we discover spin-induced ferroelectricity and magnetoelectric coupling in Mn3TeO6 and observe two successive magnetic transitions…

Materials Science · Physics 2015-12-01 L. Zhao , Z. Hu , C. Y. Kuo , T. -W. Pi , M. -K. Wu , L. H. Tjeng , A. C. Komarek

The Dzyaloshinskii-Moriya (DM) interaction is present in the transition metal dichalcogenides (TMDC) magnets of form $M_{1/3}T$S$_{2}$ ($M$ $=$ 3d transition metal, $T$ $\in$ {Nb, Ta}), given that the intercalants $M$ form…

We investigate the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network in aba and aaa stacking with intercalated transition metal atoms (Mn, Fe, Co, Ni, and Cu). Using density…

Mesoscale and Nanoscale Physics · Physics 2012-07-03 T. P. Kaloni , M. Upadhyay Kahaly , U. Schwingenschlögl

Designing two-dimensional (2D) materials with magnetic and topological properties has continuously attracted intense interest in fundamental science and potential applications. Here, on the basis of first-principles calculations, we predict…

Materials Science · Physics 2020-09-08 Chang Liu , Botao Fu , Huabing Yin , Guangbiao Zhang , Chao Dong

It is of great interest to explore intrinsic two-dimensional ferromagnetism and seek better two-dimensional quantum anomalous Hall insulator materials. Here, we show that the FeBr$_3$ monolayer is an intrinsic two-dimensional ferromagnetic…

Mesoscale and Nanoscale Physics · Physics 2017-07-10 Shi-Hao Zhang , Bang-Gui Liu

The magnetic properties of trilayers consisting of a diluted magnetic alloy, CuMn (Cu0.99Mn0.01), a soft ferromagnet, Py(Ni0.8Fe0.2), and an antiferromagnet, alpha-Fe2O3, were investigated. The samples, grown by UHV magnetron sputtering,…

We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…

Materials Science · Physics 2025-08-20 Kulbhushan Mishra , Shishir Kumar Pandey , S. Chaudhuri , Rajeev Rawat , P. A. Bhobe

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

The transition metal selenides (MxSey) have gained attention for their unique physical and chemical properties, especially those associated with the transition metal (M). Despite advancements in synthesis, fabricating these selenides is…

Materials Science · Physics 2025-01-28 Monika Ghalawat , Inderjeet Chauhan , Dinesh Singh , Chinnakonda S. Gopinath , Pankaj Poddar