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Using density functional theory combined with a Hubbard model (DFT+U ), the electronic band structure of CrI3 multilayers, both free-standing and enclosed between graphene contacts, is calculated. We show that the DFT+U approach, together…

Materials Science · Physics 2020-10-21 Soumyajit Sarkar , Peter Kratzer

Electronic structure of layered van der Waals ferromagnet CrI$_{3}$ is studied with self consistent diagrammatic approaches beyond GW approximation. Considerable improvement in the calculated band gap as compared to the non-self-consistent…

Materials Science · Physics 2021-09-01 Andrey L. Kutepov

The emergence of two-dimensional (2D) layered magnetic materials has opened an exciting playground for both fundamental studies of magnetism in 2D and explorations of spinbased applications. Remarkable properties, including spin filtering…

Mesoscale and Nanoscale Physics · Physics 2021-02-02 Xiao-Xiao Zhang , Lizhong Li , Daniel Weber , Joshua Goldberger , Kin Fai Mak , Jie Shan

We conduct a comprehensive study of three different magnetic semiconductors, CrI$_3$, CrBr$_3$, and CrCl$_3$, by incorporating both few- and bi-layer samples in van der Waals tunnel junctions. We find that the interlayer magnetic ordering,…

The moir\'e engineering of two-dimensional magnets opens unprecedented opportunities to design novel magnetic states with promises for spintronic device applications. The possibility of stabilizing skyrmions in these materials without…

Materials Science · Physics 2022-08-03 Doried Ghader , Bilal Jabakhanji , Alessandro Stroppa

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

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

Various noncollinear spin textures and magnetic phases have been predicted in twisted two-dimensional CrI$_3$ due to competing ferromagnetic (FM) and antiferromagnetic (AFM) interlayer exchange from moir\'e stacking - with potential…

The family of atomically thin magnets holds great promise for a number of prospective applications in magneto-optoelectronics, with CrI$_3$ arguably being its most prototypical member. However, the formation of defects in this system…

Materials Science · Physics 2020-05-26 Michele Pizzochero

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

Spin-waves have been studied for data storage, communication and logic circuits in the field of spintronics based on their potential to substitute electrons. Recent discovery of magnetism in two-dimensional (2D) systems such as monolayer…

Long-range magnetic orders in atomically thin ferromagnetic CrI3 give rise to new fascinating physics and application perspectives. The physical properties of two-dimensional (2D) ferromagnetism CrI3 are significantly influenced by…

Materials Science · Physics 2019-11-13 Kai Guo , Bowen Deng , Zhongtai Shi , Yue Li , Xin Wang , Lei Bi , Li Zhang , Haipeng Lu , Peiheng Zhou , Linbo Zhang , Yingchun Cheng , Bo Peng

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

Although chromium trihalides are widely regarded as a promising class of two-dimensional magnets for next-generation devices, an accurate description of their electronic structure and magnetic interactions has proven challenging to achieve.…

Mesoscale and Nanoscale Physics · Physics 2024-09-04 Ravi Yadav , Lei Xu , Michele Pizzochero , Jeroen van den Brink , Mikhail I. Katsnelson , Oleg V. Yazyev

Two-dimensional (2D) materials are being explored as a novel multiferroic platform. One of the most studied magnetoelectric multiferroic 2D materials are antiferromagnetically-coupled (AFM) CrI$_3$ bilayers. Neglecting magnetism, those…

Mesoscale and Nanoscale Physics · Physics 2023-05-16 Shiva P. Poudel , Juan M. Marmolejo-Tejada , Joseph E. Roll , Martín A. Mosquera , Salvador Barraza-Lopez

Van der Waals (vdW) magnet heterostructures have emerged as new platforms to explore exotic magnetic orders and quantum phenomena. Here, we study heterostructures of layered antiferromagnets, CrI3 and CrCl3, with perpendicular and in-plane…

The newly discovered 2D magnetic materials provide new opportunities for basic physics and device applications. However, their low Curie temperature (TC) is a common weakness. In this paper, by combining magnetic Hamiltonian, Wannier…

Materials Science · Physics 2020-11-06 Hongxing Li , Zi-Peng Cheng , Bin-Guang He , Wei-Bing Zhang

2D magnetic semiconductor CrSBr exhibits unique magneto-optical properties, yet its electronic structure and photophysical mechanisms remain unclear at high magnetic field and low temperature. Through comprehensive spectroscopic…

Materials Science · Physics 2024-11-28 Xiaodong Shen , Jiajun Cao , Weizheng Liang , Borong Cong , Bao Ke , Jialong Zhao , Bingsuo Zou

Twisting layers provide a rich ore for exotic physics in low dimensions. Despite the abundant discoveries of twistronics from the aspect of electronic structures, ferroic moir\'e textures are more plain and thus less concerned. Rigid…

Materials Science · Physics 2025-08-06 Haoshen Ye , Shuai Dong

The recent discovery of magnetism in atomically thin layers of van der Waals (vdW) crystals has created new opportunities for exploring magnetic phenomena in the two-dimensional (2D) limit. In most 2D magnets studied to date the c-axis is…