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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…

材料科学 · 物理学 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…

强关联电子 · 物理学 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.…

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…

材料科学 · 物理学 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…

强关联电子 · 物理学 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)…

介观与纳米尺度物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

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…

超导电性 · 物理学 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…

超导电性 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 2026-01-13 J. W. González , T. Brumme , E. Suárez Morell , A. M. León