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Based on density functional theory (DFT), we performed first-principle studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenide MnPX$_3$ (X=S and Se).…

Materials Science · Physics 2021-12-23 Juntao Yang , Yong Zhou , Qilin Guo , Yuriy Dedkov , Elena Voloshina

The transition-metal intercalated dichalcogenide CoNb$_3$S$_6$ is a triangular antiferromagnet that has recently been shown to exhibit a large anomalous Hall effect (AHE) below the N\'eel temperature, even though the response to an external…

Materials Science · Physics 2022-01-27 O. Heinonen , R. A. Heinonen , H. Park

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…

We present a density functional theory study of the carrier-density and strain dependence of magnetic order in two-dimensional (2D) MAX$_3$ (M= V, Cr, Mn, Fe, Co, Ni; A= Si, Ge, Sn, and X= S, Se, Te) transition metal trichalcogenides. Our…

Mesoscale and Nanoscale Physics · Physics 2020-02-26 Bheema Lingam Chittari , Dongkyu Lee , Allan H. MacDonald , Euyheon Hwang , Jeil Jung

Understanding the magnetic ground state of Ruddlesden-Popper nickelates is crucial, as these materials exhibit superconductivity under high pressure and host competing electronic orders that may play a key role in the pairing mechanism. In…

We systematically investigate the electronic structure and magnetic properties of two dimensional (2D) MPX$_3$ (M= V, Cr, Mn, Fe, Co, Ni, Cu, Zn, and X = S, Se, Te) transition metal chacogenophosphates to examine their potential role as…

Mesoscale and Nanoscale Physics · Physics 2017-10-02 Bheema Lingam Chittari , Youngju Park , Dongkyu Lee , Moonsup Han , Allan H. MacDonald , Euyheon Hwang , Jeil Jung

Based on first-principles calculations, the evolution of the electronic and magnetic properties of transition metal dihalides MX$_2$ (M= V, Mn, Fe, Co, Ni; X = Cl, Br, I) is analyzed from the bulk to the monolayer limit. A variety of…

Strongly Correlated Electrons · Physics 2019-04-17 Antia S. Botana , Michael R. Norman

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

The electronic structures and magnetic properties of strained monolayer MnPSe3 are investigated systematically by first-principles calculations. It is found that the magnetic ground state (GS) of monolayer MnPSe3 can be significantly…

Materials Science · Physics 2018-04-30 Qi Pei , Xiaocha Wang , Jijun Zou , Wenbo Mi

We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS$_3$ and NiPS$_3$) of transition metal phosphorus trichalcogenides doped with $3d$…

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

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

Two-dimensional van der Waals magnetic materials are of great current interest for their promising applications in spintronics. In this work, using density functional theory calculations in combination with the maximally localized Wannier…

Materials Science · Physics 2024-01-30 Guangyu Wang , Ke Yang , Yaozhenghang Ma , Lu Liu , Di Lu , Yuxuan Zhou , Hua Wu

The van der Waals bonded transition metal phosphorous trichalcogenides FePS$_3$, NiPS$_3$ and MnPS$_3$ have recently attracted renewed attention due to the possibility of exfoliating them into their monolayers. Although the three compounds…

Materials Science · Physics 2021-06-24 Thomas Olsen

Layered antiferromagnetic materials have emerged as a novel subset of the two-dimensional family providing a highly accessible regime with prospects for layer-number-dependent magnetism. Furthermore, transition metal phosphorous…

Materials Science · Physics 2024-01-09 Daniel J. Gillard , Daniel Wolverson , Oscar M. Hutchings , Alexander I. Tartakovskii

Two-dimensional van der Waals compounds with magnetic ions on a honeycomb lattice are hosts to a variety of exotic behavior. The magnetic interactions in one such compound, MnPSe$_3$, are investigated with elastic and inelastic neutron…

Strongly Correlated Electrons · Physics 2021-01-20 S. Calder , A. V. Haglund , A. I. Kolesnikov , D. Mandrus

The layered perovskites $R$Cr(BO$_3$)$_2$ ($R$ = Y and Ho) with magnetic triangular lattices were studied by performing ac/dc susceptibility, specific heat, elastic and inelastic neutron scattering, and dielectric constant measurements. The…

Materials Science · Physics 2017-09-13 R. Sinclair , H. D. Zhou , M. Lee , E. S. Choi , G. Li , T. Hong , S. Calder

Using {\it ab initio} calculations, we investigate the magnetic ground states of quasi-one-dimensional insulating CrSb$X_3$ ($X$ = S, Se) with infinite double-rutile chains. Within conventional band theory, without explicit Coulomb…

Strongly Correlated Electrons · Physics 2026-04-03 Kang Lee , Hong-Suk Choi , K. -W. Lee

We present the results of muon-spin relaxation ($\mu$SR) measurements of the static and dynamic magnetism of $M_{1/3}$NbS$_2$ ($M$ = Fe, V, Mn), three intercalated transition-metal dichalcogenides. Transitions to long-range magnetic order…

We present a brief review of experimental and theoretical papers on studies of electron transport and magnetic properties in manganese-based compounds Mn$_2$YZ and Mn$_3$Z (Y = V, Cr, Fe, Co, Ni, etc.; Z = Al, Ge, Sn, Si, Pt, etc.). It has…

Materials Science · Physics 2023-09-26 V. V. Marchenkov , V. Yu. Irkhin
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