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Electric field control of magnetic structures, particularly topological defects in magnetoelectric materials, draws a great attention in recent years, which has led to experimental success in creation and manipulation by electric field of…

Strongly Correlated Electrons · Physics 2017-05-24 P. I. Karpov , S. I. Mukhin

We report the mechanisms of atomic ordering in Fe$_{1-x}$Pt$_{x}$ alloys using density functional theory (DFT) and machine-learning interatomic potential Monte Carlo (MLIP-MC) simulations. We clarified that the formation enthalpy of the…

The heterointerfaces at complex oxides have emerged as a promising platform for discovering novel physical phenomena and advancing integrated sensing, storage, and computing technologies. Nevertheless, achieving precise control over a…

Materials Science · Physics 2025-09-01 Jiaxin Lv , Silan Li , Chenhao Duan , Shuanhu Wang , Hong Yan , Kexin Jin

As a unique perovskite transparent oxide semiconductor, high-mobility La-doped BaSnO3 films have been successfully synthesized by molecular beam epitaxy and pulsed laser deposition. However, it remains a big challenge for magnetron…

Materials Science · Physics 2024-06-12 Ruyi Zhang , Xinyan Li , Jiachang Bi , Shunda Zhang , Shaoqin Peng , Yang Song , Qinghua Zhang , Lin Gu , Junxi Duan , Yanwei Cao

Topological materials with large spin-orbit coupling and immunity to disorder-induced symmetry breaking show great promise for efficiently converting charge to spin. Here, we report that long-range disordered sputtered WTex thin films…

Mesoscale and Nanoscale Physics · Physics 2021-04-21 Xiang Li , Peng Li , Vincent D. -H. Hou , Mahendra DC , Chih-Hung Nien , Fen Xue , Di Yi , Chong Bi , Chien-Min Lee , Shy-Jay Lin , Wilman Tsai , Yuri Suzuki , Shan X. Wang

Materials with magnetoelectric coupling (MEC) between ferroic orders at room temperature are emerging field in modern technology and physics. BaTiO3 is a robust ferroelectric in which several doping has led to MEC. In Ca and Mn modified…

In ABO3 perovskites, oxygen octahedron rotations are common structural distortions that can promote large ferroelectricity in BiFeO3 with an R3c structure [1], but suppress ferroelectricity in CaTiO3 with a Pbnm symmetry [2]. For many…

Materials Science · Physics 2016-04-05 Hongwei Wang , Jianguo Wen , Dean J. Miller , Qibin Zhou , Mohan Chen , Ho Nyung Lee , Karin M. Rabe , Xifan Wu

BaMF4 (M=Fe, Co, Ni and Mn) family are typical multiferroic materials, having antiferromagnetism at around liquid nitrogen temperature. In this work, polycrystalline BaFeF4 has been prepared by solid state reaction. The slight deficiency of…

We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain…

Materials Science · Physics 2012-04-17 Jacek C. Wojdel , Jorge Iniguez

Fe3Si is a ferromagnetic material with possible applications in magnetic tunnel junctions. When doped with Mn, the material shows a complex magnetic behavior, as suggested by older experiments. We employed the Korringa-Kohn-Rostoker (KKR)…

Materials Science · Physics 2016-08-14 Marjana Ležaić , Phivos Mavropoulos , Stefan Blügel , Hubert Ebert

Heterostructures of two-dimensional (2D) van der Waals (vdW) magnets and topological insulators (TI) are of substantial interest as candidate materials for efficient spin-torque switching, quantum anomalous Hall effect, and chiral spin…

Micrometric domains of precise ferroelectric polarization have been written into a 20 nm thick epitaxial thin film of BaTiO3(001) (BTO) on a Nb doped SrTiO3 (STO) substrate using PiezoForce Microscopy (PFM). The domain dependent electronic…

Materials Science · Physics 2018-06-06 N. Barrett , J. Rault , I. Krug , B. Vilquin , G. Niu , B. Gautier , D. Albertini , O. Renault

Efforts to combine the advantages of multiple systems to enhance functionlities through solid solution design present a great challenge due to the constraint imposed by the classical Vegard law. Here, we successfully navigate this trade off…

The single crystal study of CaBaCo4O7, a non collinear ferrimagnet (TC=64K), with a polar orthorhombic space group (Pbn21) between 4 K and 293 K, shows the appearance below TC of a large electric polarization along its c axis, reaching…

Materials Science · Physics 2015-06-15 V. Caignaert , A. Maignan , K. Singh , Ch. Simon , V. Pralong , B. Raveau , J. F. Mitchell , H. Zheng , A. Huq , L. Chapon

The challenge of achieving ultrafast switching of electric polarization in ferroelectric materials remains unsolved, as there is no experimental evidence of such switching to date. In this study, we have developed an enhanced model that…

Materials Science · Physics 2024-05-03 Petr Zhilyaev , Kirill Brekhov , Elena Mishina , Christian Tantardini

Ferroelectricity-the switchable intrinsic electric polarization-has not yet been attained in a metal experimentally and is in fact generally deemed irreconcilable with free carriers, although polar metal has been achieved recently.…

Two-dimensional (2D) magnets have broad application prospects in the spintronics, but how to effectively control them with a small electric field is still an issue. Here we propose that 2D magnets can be efficiently controlled in a…

Mesoscale and Nanoscale Physics · Physics 2022-02-01 Ping Li , Xue-Song Zhou , Zhi-Xin Guo

By performing first-principles calculations, we systematically explore the effect of epitaxial strain on the structure and properties of multiferroic TbMnO3. We show that, although the unstrained bulk TbMnO3 displays a non-collinear…

Materials Science · Physics 2015-05-20 Yusheng Hou , Jihui Yang , Xingao Gong , Hongjung Xiang

We introduce an open-source, fully atomistic second-principles interatomic potential for lead titanate (PbTiO3), a benchmark ferroelectric material known for its strong polarization and hightemperature phase transitions. While density…

Materials Science · Physics 2025-10-10 Louis Bastogne , Philippe Ghosez

The exotic topological domains in ferroelectrics and multiferroics have attracted extensive interest in recent years due to their novel functionalities and potential applications in nanoelectronic devices. One of the key challenges for such…