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When combined with transition metals with partially filled $d$-orbitals, magnetism can be incorporated in two-dimensional materials, which greatly expands the scope for fundamental researches and potential applications of these materials.…

Materials Science · Physics 2019-12-24 Ming An , Yang Zhang , Jun Chen , Hui-Min Zhang , Yunjun Guo , Shuai Dong

We investigate magnetic properties of CrTe$_2$ within the density functional theory (DFT) approach in ferromagnetic phase and combination of DFT and dynamical mean field theory (DFT+DMFT) approach in paramagnetic phase. We show that few…

Strongly Correlated Electrons · Physics 2026-03-03 A. A. Katanin , E. M. Agapov

A density functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density functional theory are the charge and spin densities of the…

Condensed Matter · Physics 2009-11-07 J. Fernandez-Rossier , L. J. Sham

Two-dimensional (2D) magnetic materials are of current great interest for their promising applications in spintronics. Strong magnetic coupling and anisotropy are both highly desirable for the achievement of a high temperature magnetic…

Materials Science · Physics 2024-01-30 Ke Yang , Yaozhenghang Ma , Lu Liu , Yueyue Ning , Di Lu , Yuxuan Zhou , Zhongyao Li , Hua Wu

Two-dimensional ferromagnetic (FM) half-metals are promising candidates for advanced spintronic devices with small-size and high-capacity. Motivated by recent report on controlling synthesis of FM Cr$_3$Te$_4$ nanosheet, herein, to explore…

Materials Science · Physics 2023-07-19 Qihong Wu , Rongkun Liu , Zhanjun Qiu , Dengfeng Li , Jie Li , Xiaotian Wang , Guangqian Ding

The monolayer FeSe with a thickness of one unit cell grown on a single-crystal SrTiO$_{3}$ substrate (FeSe/STO) exhibits striking high-temperature superconductivity with transition temperature $T_{c}$ over 65K reported by recent…

Mesoscale and Nanoscale Physics · Physics 2015-10-07 Ningning Hao , Shun-Qing Shen

The development of room-temperature tunable magnetic semiconductors is crucial for the advancement of low-power, high-performance information technologies. Using density functional theory calculations, we propose a series of two-dimensional…

Materials Science · Physics 2025-06-12 Jia-Wen Li , Gang Su , Bo Gu

The electronic structure and the magnetism of the novel ferromagnetic semiconductor (Ga,Fe)Sb, whose Curie temperature $T_{\rm C}$ can exceed room temperature, were investigated by means of x-ray absorption spectroscopy (XAS), x-ray…

Two-dimensional (2D) ferroelectric (FE) materials are promising compounds for next-generation nonvolatile memories, due to their low energy consumption and high endurance. Among them, {\alpha}-In$_{2}$Se$_{3}$ has drawn particular attention…

Two-dimensional chromium oxide fluoride CrOF sheet was studied based on density functional theory. The investigation indicates that the CrOF sheet is an intrinsic ferromagnetic semiconductor. The calculated low cleavage energy implies that…

Materials Science · Physics 2018-10-17 Tiantian Xiao , Guo Wang , Yi Liao

The current status and prospects of research on ferromagnetism in semiconductors are reviewed. The question of the origin of ferromagnetism in europium chalcogenides, chromium spinels and, particularly, in diluted magnetic semiconductors is…

Materials Science · Physics 2009-11-07 Tomasz Dietl

Magnetic van der Waals materials are an important building block to realize spintronic functionalities in heterostructures of two-dimensional (2D) materials. Yet, establishing their magnetic and electronic properties and the…

2-Dimensional (2D) CrPS4 single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic and thermal transport properties of the single crystals were investigated by the room-temperature…

Strongly Correlated Electrons · Physics 2016-03-09 Q. L. Pei , X. Luo , G. T. Lin , J. Y. Song , L. Hu , Y. M. Zou , L. Yu , W. Tong , W. H. Song , W. J. Lu , Y. P. Sun

Unambiguous evidence for the microscopic coexistence of ferromagnetism and superconductivity in UCoGe ($T_{\rm Curie} \sim 2.5$ K and $T_{\rm SC}$ $\sim$ 0.6 K) is reported from $^{59}$Co nuclear quadrupole resonance (NQR). The…

Two-dimensional (2D) intrinsic ferromagnetic (FM) semiconductors are crucial to develop low-dimensional spintronic devices. Using density functional theory, we show that single-layer chromium trihalides (SLCTs) (CrX$_3$,X=F, Cl, Br and I)…

Materials Science · Physics 2016-02-26 Wei-Bing Zhang , Qian Qu , Peng Zhu , Chi-Hang Lam

We present a comprehensive investigation of the structural, electronic, magnetic, and vibrational properties of CrSH monolayers in the 1T and 2H phases using density functional theory (DFT)+U calculations with a converged Hubbard U value of…

Materials Science · Physics 2024-11-28 Akkarach Sukserm , Jakkapat Seeyangnok , Udomsilp Pinsook

Two-dimensional (2D) magnetic materials have attracted tremendous research interest because of the promising application in the next-generation microelectronic devices. Here, by the first-principles calculations, we propose a…

Materials Science · Physics 2024-06-19 Ming Yan , Z. Y. Xie , Miao Gao

By density functional theory calculations, we predict a stable two-dimensional (2D) ferromagnetic semiconductor Cr$_2$Ge$_2$Se$_6$, where the Curie temperature $T$$_c$ can be dramatically enhanced beyond room temperature by applying a few…

Materials Science · Physics 2019-07-17 Xue-Juan Dong , Jing-Yang You , Bo Gu , Gang Su

The quest for pragmatic room-temperature (RT) magnetic semiconductors (MSs) with a suitable bandgap constitutes one of the contemporary opportunities to be exploited. This may provide a materials platform for to bring new-generation ideal…

With help of ab initio density functional theory calculation, DFT+U, and hybrid functional HSE06, we revisit the layer dependent electronic structure and magnetic properties of pristine and 3d transition metal Cr doped MoS$_2$ monolayer and…

Materials Science · Physics 2024-03-25 Aloka Ranjan Sahoo , Sharat Chandra
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