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Using ab initio density functional theory (DFT), we demonstrated the possibility of controlling the magnetic ground-state properties of bilayer CrCl$_{3}$ by means of mechanical strains and electric fields. In principle, we investigated the…

Materials Science · Physics 2023-04-04 Ali Ebrahimian , Anna Dyrdał , Alireza Qaiumzadeh

A recent theoretical study reported large effects of perpendicular electric fields on the atomic structure of a monolayer CrI3, which could be related to the microscopic origin of the technologically promising and experimentally observed…

Materials Science · Physics 2019-07-24 S. Ghosh , N. Stojic , N. Binggeli

The marked interplay between the crystalline, electronic, and magnetic structure of atomically thin magnets has been regarded as the key feature for designing next-generation magneto-optoelectronic devices. In this respect, a detailed…

Strongly Correlated Electrons · Physics 2020-05-25 Michele Pizzochero , Ravi Yadav , Oleg V. Yazyev

We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI$_2$) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a…

Materials Science · Physics 2025-12-23 B. Valdés-Toro , I. Ferreira-Araya , R. A. Gallardo , J. W. González

Recent observation of intrinsic ferromagnetism in two-dimensional (2D) CrI$_3$ is associated with the large magnetic anisotropy due to strong spin-orbit coupling (SOC) of I. Magnetic anisotropy energy (MAE) defines the stability of…

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

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

The successful synthesis of few-layer CrI3 has opened new avenues for research in two-dimensional magnetic materials. Owing to its simple crystal structure and excellent physical properties, layered CrI3 has been extensively studied in…

Materials Science · Physics 2026-01-09 Xianzhe Zhu , Pu Liu , Wence Ding , Benhu Zhou , Xiaoying Zhou , Guanghui Zhou

In this letter, we report the visualization of topologically protected spin textures, in the form of magnetic skyrmions, in recently discovered monoatomic-thin two-dimensional CrI$_3$. By combining density functional theory and atomistic…

Materials Science · Physics 2019-07-24 Aroop K. Behera , Sugata Chowdhury , Suprem R. Das

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

We analyze magnetic properties of monolayers and bilayers of chromium trihalides, CrI$_3$, in two different stacking configurations: AA and rhombohedral ones. Our main focus is on the corresponding Curie temperatures, hysteresis curves,…

Mesoscale and Nanoscale Physics · Physics 2024-04-25 S. Stagraczynski , P. Balaz , M. Jafari , J. Barnas , A. Dyrdal

Atomically thin films of layered chromium triiodide (CrI$_3$) have recently been regarded as suitable candidates to a wide spectrum of technologically relevant applications, mainly owing to the opportunity they offer to achieve a reversible…

Strongly Correlated Electrons · Physics 2020-05-01 Michele Pizzochero , Oleg V. Yazyev

Integrating two-dimensional van der Waals magnets into field-effect spintronic devices requires robust charge stability and tunable spin responses. In this study, we investigate the electronic, topological, magnonic, and magneto-optical…

Materials Science · Physics 2026-05-20 S. Solihin , Ahmad R. T. Nugraha , Muhammad Aziz Majidi

Motivated by manipulating the magnetic order of bilayer CrI$_3$, we carry out microscopic calculations to find the magnetic order and various magnetic domains of the system in the presence of an electric field. Making use of density…

Materials Science · Physics 2022-06-17 Sahar Izadi Vishkay , Reza Asgari

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

Recently, great effort has been devoted to the search for two-dimensional (2D) ferromagnetic materials with inherent strong Dzyaloshinskii--Moriya interaction (DMI). Here, through a first-principles approach, we systematically investigate…

Materials Science · Physics 2022-09-14 Zhong Shen , Changsheng Song , Yufei Xue , Zebin Wu , Jiqing Wang , Zhicheng Zhong

The influence of the mechanical strain and chemical substitution on the magnetic anisotropy energy (MAE) of Cr$_2$O$_3$ is studied using first-principles calculations. Dzyaloshinskii-Moriya interaction contributes substantially to MAE by…

Materials Science · Physics 2019-03-15 Sai Mu , K. D. Belashchenko

The recent discovery of ferromagnetic single-layer CrI3 creates ample opportunities for studying fundamental properties of atomically-thin magnets. By using first-principles calculations and model analysis, we show that a lateral strain…

Mesoscale and Nanoscale Physics · Physics 2017-09-19 Fawei Zheng , Jize Zhao , Zheng Liu , Menglei Li , Mei Zhou , Shengbai Zhang , Ping Zhang

Two-dimensional van der Waals magnetic materials are intriguing for applications in the future spintronics devices, so it is crucial to explore strategy to control the magnetic properties. Here, we carried out first-principles calculations…

Materials Science · Physics 2021-07-20 Chong Xu , Qianjun Wang , Bin Xu , Jun Hu

Introducing noncollinear magnetization into a monolayer CrI$_3$ is proposed to be an effective approach to modulate the local electronic properties of the two-dimensional (2D) magnetic material. Using first-principles calculation, we…

Materials Science · Physics 2019-05-22 Lingling Ren , Qian Liu , Pengxiang Xu , Zhicheng Zhong , Li Yang , Zhe Yuan , Ke Xia

We investigate the effect of coupling (intensity and nature), applied field, and anisotropy on the spin dynamics of a multi-layer system composed of a hard magnetic slab coupled to a soft magnetic slab through a nonmagnetic spacer. The soft…

Materials Science · Physics 2015-06-12 Andres Felipe Franco , Hamid Kachkachi
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