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The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

Materials Science · Physics 2025-07-08 Sujoy Datta , Prashant Singh

The effect of electron doping on the magnetic properties of the Brownmillerite-type bilayered compounds has been investigated by neutron powder diffraction in La substituted Ca2.5-xLaxSr0.5GaMn2O8 compounds (x = 0.05 and 0.1), in comparison…

Strongly Correlated Electrons · Physics 2012-05-18 A. K. Bera , S. M. Yusuf , I. Mirebeau

By means of first principles schemes based on magnetically constrained density functional theory and on the band unfolding technique we study the effect of doping on the conducting behaviour of the Lifshitz magnetic insulator NaOsO3.…

Strongly Correlated Electrons · Physics 2019-05-01 Sabine Dobrovits , Bongjae Kim , Michele Reticcioli , Alessandro Toschi , Sergii Khmelevskyi , Cesare Franchini

The atomic thickness of two-dimensional (2D) materials provides a unique opportunity to control material properties and engineer new functionalities by electrostatic doping. Electrostatic doping has been demonstrated to tune the electrical…

Materials Science · Physics 2018-08-01 Shengwei Jiang , Lizhong Li , Zefang Wang , Kin Fai Mak , Jie Shan

Strong charge-spin coupling is found in a layered transition-metal trichalcogenide NiPS3, a van derWaals antiferromagnet, from our study of the electronic structure using several experimental and theoretical tools: spectroscopic…

On the basis of the Hubbard model, we present the formulation of antiferromagnetism in electron-doped cuprates using the fluctuation-exchange approach. Taking into account the spin fluctuations in combination with the impurity scattering…

Strongly Correlated Electrons · Physics 2011-11-09 Xin-Zhong Yan , Qingshan Yuan , C. S. Ting

Controlling magnetism by purely electrical means is a key challenge to better information technology1. A variety of material systems, including ferromagnetic (FM) metals2,3,4, FM semiconductors5, multiferroics6,7,8 and magnetoelectric (ME)…

Mesoscale and Nanoscale Physics · Physics 2018-03-21 Shengwei Jiang , Jie Shan , Kin Fai Mak

Single layers of transition-metal thiophosphates (2D-TMPS$_{3}$) van der Waals magnets are an ideal platform for studying antiferromagnetic interactions in two dimensions. However, the magnetic coupling mechanism between two or more…

Materials Science · Physics 2024-10-18 Andrea León , Beatriz Costa , Thomas Heine , Thomas Brumme

The samples of Ga doped Cr2O3 oxide have been prepared using chemical co-precipitation route. X-ray diffraction pattern and Raman spectra have confirmed rhombohedral crystal structure with space group R3-C. Magnetic measurement has…

Materials Science · Physics 2017-03-08 R. N. Bhowmik , K. Venkata Siva , R. Ranganathan , Chandan Mazumdar

We have performed electrochemical treatment of the van der Waals antiferromagnetic materials FePS$_3$ and NiPS$_3$ with the ionic liquid EMIM-BF$_4$, achieving significant molecular intercalation. Mass analysis of the intercalated…

Strongly Correlated Electrons · Physics 2024-05-07 Cong Li , Ze Hu , Xiaofei Hou , Sheng Xu , Zhanlong Wu , Kefan Du , Shuo Li , Xiaoyu Xu , Ying Chen , Zeyu Wang , Tiancheng Mu , Tian-Long Xia , Yanfeng Guo , B. Normand , Weiqiang Yu , Yi Cui

Stacking order can significantly influence the physical properties of two-dimensional (2D) van der Waals materials. The recent isolation of atomically thin magnetic materials opens the door for control and design of magnetism via stacking…

The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…

Superconductivity · Physics 2013-02-12 Timur Bazhirov , Marvin L. Cohen

Layered van-der-Waals 2D magnetic materials are of great interest in fundamental condensed-matter physics research, as well as for potential applications in spintronics and device physics. We present neutron powder diffraction data using…

We have systematically studied the antiferromagnetic and nematic transitions in Sr$_{1-x}$Ba$_x$Fe$_{1.97}$Ni$_{0.03}$As$_2$ by magnetic susceptibility and uniaxial-pressure resistivity measurements, respectively. The derivatives of the…

Superconductivity · Physics 2017-10-12 Dongliang Gong , Zhaoyu Liu , Yanhong Gu , Tao Xie , Xiaoyan Ma , Huiqian Luo , Yi-feng Yang , Shiliang Li

The electron-doping-driven collapse of the charge gap and staggered magnetization of the spin-orbit-assisted Mott insulator Sr$_{3}$Ir$_{2}$O$_{7}$ is explored via first-principles computational methods. In the antiferromagnetic phase, the…

Strongly Correlated Electrons · Physics 2018-08-15 Michael W. Swift , Zach Porter , Stephen D. Wilson , Chris G. Van de Walle

We study the formation of antiferromagnetic correlations induced by impurity doping in anisotropic two-dimensional spin-Peierls systems. Using a mean-field approximation to deal with the inter-chain magnetic coupling, the intra-chain…

Strongly Correlated Electrons · Physics 2009-10-31 A. Dobry , P. Hansen , J. Riera , D. Augier , D. Poilblanc

Using density functional theory we show that the interaction between two Mn atoms can be tuned from anti-ferromagnetic (AFM) to ferromagnetic (FM) state by creating charge disproportion between the two on a 2D surface. The non-metallic…

Materials Science · Physics 2025-12-22 Mihir Ranjan Sahoo , Saroj Kumar Nayak , Kalpataru Pradhan

We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic…

Materials Science · Physics 2013-01-08 Jian-Min Zhang , Wenguang Zhu , Ying Zhang , Di Xiao , Yugui Yao

Interlayer coupling is of vital importance for manipulating physical properties, e.g. electronic bandgap, in two-dimensional materials. However, tuning magnetic proper-ties in these materials is yet to be addressed. Here, we found a striped…

Materials Science · Physics 2018-06-20 Cong Wang , Xieyu Zhou , Yuhao Pan , Jingsi Qiao , Xianghua Kong , Chao-Cheng Kaun , Wei Ji

Altermagnetic materials combine compensated magnetic order with momentum-dependent spin splitting, offering a fundamentally new route for spintronic functionality beyond conventional ferromagnets and antiferromagnets. While most studies…

Materials Science · Physics 2026-01-13 J. W. González , T. Brumme , E. Suárez Morell , A. M. León