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Related papers: Robust intrinsic ferromagnetism in 2D half-metalli…

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Achieving robust room-temperature ferromagnetism in purely organic 2D crystals remains a fundamental challenge, primarily due to antiferromagnetic (AFM) coupling mediated by {\pi}-electron superexchange. Here, we present a mix-topology…

Materials Science · Physics 2025-08-26 Hongde Yu , Thomas Heine

A two-dimensional scandium monochloride sheet was investigated by using density functional theory. It could be exfoliated from a known bulk material with a cleavage energy slightly lower than that of graphene. The sheet has a ferromagnetic…

Materials Science · Physics 2018-12-26 Guo Wang , Xinyu Wang , Yi Liao

We propose two-dimensional (2D) Ising-type ferromagnetic semiconductors TcSiTe3, TcGeSe3, and TcGeTe3 with high Curie temperatures around 200-0500 K. Owing to large spin-orbit couplings, the large magnetocrystalline anisotropy energy (MAE),…

Materials Science · Physics 2020-01-07 Jing-Yang You , Zhen Zhang , Xue-Juan Dong , Bo Gu , Gang Su

Two-dimensional (2D) half-metallic materials that have sparked intense interest in advanced spintronic applications are essential to the developing next-generation nanospintronic devices. Here we have adopted a first-principles calculation…

Materials Science · Physics 2023-04-12 Qiuyue Ma , Yingmei Li , Guochun Yang , Yong Liu

Bare and surface-passivated Fe2N, Co2N, and Ni2N MXene were investigated by using density functional theory. Fe2N(OH)2, Fe2NO2, Co2NO2, Ni2NF2, Ni2N(OH)2, and Ni2NO2 are intrinsic half-metals, while other structures have antiferromagnetic…

Materials Science · Physics 2017-09-13 Guo Wang , Yi Liao

Two-dimensional (2D) half-metals with intrinsic ferromagnetism hold great potential for applications in spintronics. In this study, we aim to expand the known space of such 2D ferromagnetic (FM) half-metals by investigating bilayer of Janus…

Materials Science · Physics 2025-08-29 Khushboo Dange , Shivprasad S. Shastri , Alok Shukla

Materials with large intrinsic valley splitting and high Curie temperature are a huge advantage for studying valleytronics and practical applications. In this work, using first-principles calculations, a new Janus TaNF monolayer is…

Materials Science · Physics 2023-04-13 Guibo Zheng , Shuixian Qu , Wenzhe Zhou , Fangping Ouyang

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

Epitaxial films including bulk-like cubic and wurtzite polymorphs of MnSb have been grown by molecular beam epitaxy on GaAs via careful control of the Sb4/Mn flux ratio. Nonzero-temperature density functional theory was used to predict ab…

Theoretical prediction of Curie temperature (TC) is of vital importance for designing the spintronic devices in two-dimensional (2D) ferromagnetic materials. Herein, based on the extensive investigation of Monte Carlo simulations, we…

Materials Science · Physics 2022-09-13 Yufei Xue , Zhong Shen , Zebin Wu , Changsheng Song

Magnetic Weyl semimetals (MWSM) have attracted significant attention due to their intriguing physical properties and potential applications in spin-electronic devices. Here we report the characterization of NdAlSi including transport,…

We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with…

Searching ferromagnetic semiconductor materials with electrically controllable spin polarization is a long-term challenge for spintronics. Bipolar magnetic semiconductors (BMS), with valence and conduction band edges fully spin-polarized in…

Materials Science · Physics 2021-12-13 Haidi Wang , Qingqing Feng , Xingxing Li , Jinlong Yang

Lateral heterostructures of two-dimensional (2D) materials, integrating different phases or materials into a single piece of nanosheet, have attracted intensive research interests in the past few years for high-performance electronic and…

Materials Science · Physics 2020-05-04 Kaiyun Chen , Junkai Deng , Yuan Yan , Qian Shi , Tieyan Chang , Xiangdong Ding , Jun Sun , Sen Yang , Jefferson Zhe Liu

A two-dimensional (2D) material system with both piezoelectricity and ferromagnetic (FM) order, referred to as a 2D piezoelectric ferromagnetism (PFM), may open up unprecedented opportunities for intriguing physics. Inspired by…

Materials Science · Physics 2021-06-16 San-Dong Guo , Xiao-Shu Guo , Xiu-Xia Cai , Wen-Qi Mu , Wen-Cai Ren

Janus materials possess extraordinary physical, chemical, and mechanical properties caused by symmetry breaking. Here, the mechanic properties, electronic structure, magnetic properties, and optical properties of Janus Cr$_2$TeX (X= P, As,…

Materials Science · Physics 2023-05-09 Qiuyue Ma , Wenhui Wan , Yanfeng Ge , Yingmei Li , Yong Liu

Half Metal Magnets are of great interest in the field of spintronics because of their potential full spin-polarization at the Fermi level and low magnetization damping. The high Curie temperature and predicted 0.7eV minority spin gap make…

Two-dimensional (2D) ferromagnetic materials with high Curie temperature ($T_{\rm c}$) and large magnetic anisotropy energy (MAE) are critical for nanoscale spintronics but remain rare. We propose, via first-principles calculations, that…

Materials Science · Physics 2026-04-07 Yiran Peng , Yanfeng Ge , Yong Liu , Wenhui Wan

According to the Mermin Wagner theorem, two-dimensional material is difficult to have the Curie temperature above room temperature. By using the method of band engineering, we design a promising two-dimensional ferromagnetic semiconductor…

Materials Science · Physics 2024-01-25 Xiao-Ping Wei , Lan-Lan Du , Jiang-Liu Meng , Xiaoma Tao

Two-dimensional topological materials (TMs) have a variety of properties that make them attractive for applications including spintronics and quantum computation. However, there are only a few such experimentally known materials. To help…

Materials Science · Physics 2020-05-08 Kamal Choudhary , Kevin F. Garrity , Jie Jiang , Ruth Pachter , Francesca Tavazza