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Among the 3d transition metal ions doped polar Ni3TeO6, Mn-doped Ni3TeO6 has stimulated great interest due to its high magnetic ordering temperature and complex magnetic phases, but the mechanism of magnetoelectric (ME) coupling is far from…

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…

材料科学 · 物理学 2012-04-17 Jacek C. Wojdel , Jorge Iniguez

We describe magneto-, baro- and elastocaloric effects (MCEs, BCEs and eCEs) in materials which possess both discontinuous (first-order) and continuous (second-order) magnetic phase transitions. Our ab initio theory of the interacting…

材料科学 · 物理学 2020-06-03 Eduardo Mendive-Tapia , Julie B. Staunton

The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such as, e.g., skyrmions, merons and hopfions. These types of…

We demonstrate that magnetic vortices in which spins are coupled to polar lattice distortions via superexchange exhibit an unusually large linear magnetoelectric response. We show that the periodic arrays of vortices formed by frustrated…

材料科学 · 物理学 2021-04-06 Kris T. Delaney , Maxim Mostovoy , Nicola A. Spaldin

Based on density functional theory and symmetry analysis, we present a comprehensive investigation of electronic structure, magnetic properties and possible structural distortion of magnetic kagome metal FeGe. We estimate the magnetic…

强关联电子 · 物理学 2023-08-02 Hanjing Zhou , Songsong Yan , Dongze Fan , Di Wang , Xiangang Wan

An integrated data-driven approach combined with a high-throughput framework based on first-principles calculations was used to discover novel rare-earth-free permanent magnets, focusing on binary alloys. Compounds were screened…

材料科学 · 物理学 2025-07-03 Junaid Jami , Nitish Bhagat , Amrita Bhattacharya

The authors present a quantity termed charge-spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is simple to evaluate using both standard density functional…

超导电性 · 物理学 2021-02-23 J. N. B. Rodrigues , Lucas K. Wagner

Interfacing magnetism with superconductivity gives rise to a wonderful playground for intertwining key degrees of freedom: Cooper pairs, spin, charge, and spin-orbit interaction, from which emerge a wealth of exciting phenomena, fundamental…

The theoretical approach to a sequential heavy ion double charge exchange reaction is presented. A brief introduction into the formal theory of second-order nuclear reactions and their application to Double Single Charge Exchange (DSCE)…

核理论 · 物理学 2021-04-13 Horst Lenske , Jessica Bellone , Maria Colonna , Danilo Gambacurta

We perform charge density functional theory plus $U$ calculation of LaMnO$_3$. While all the previous calculations were based on spin density functionals, our result and analysis show that the use of spin-unpolarized charge-only density is…

强关联电子 · 物理学 2018-09-20 Seung Woo Jang , Siheon Ryee , Hongkee Yoon , Myung Joon Han

On the basis of a first-principles, relativistic electronic structure theory of finite temperature metallic magnetism, we investigate the variation of magnetic anisotropy, K, with magnetisation, M, in metallic ferromagnets. We apply the…

材料科学 · 物理学 2009-11-10 J. B. Staunton , S. Ostanin , S. S. A. Razee , B. L. Gyorffy , L. Szunyogh , B. Ginatempo , Ezio Bruno

Magnetoelectric (ME) coupling at low frequencies and at x-band have been investigated in layered samples containing zinc substituted lithium ferrite and lead zirconate titanate (PZT). Multilayers of Li0.5-x/2ZnxFe2.5-x/2O4 (LZFO) (x=0-0.4)…

材料科学 · 物理学 2009-11-10 G. Srinivasan , R. Hayes , M. I. Bichurin

Searching for new functionality in next generation electronic devices is a principal driver of material physics research. Multiferroics simultaneously exhibit electric and magnetic order parameters that may be coupled through…

材料科学 · 物理学 2017-06-06 Sae Hwan Chun , Kwang Woo Shin , Kee Hoon Kim , John F. Mitchell , Philip J. Ryan , Jong-Woo Kim

The kamiokite, Fe$_2$Mo$_3$O$_8$, is regarded as a promising material exhibiting giant magnetoelectric (ME) effect at the relatively high temperature $T$. Here, we explore this phenomenon on the basis of first-principles electronic…

材料科学 · 物理学 2019-11-13 I. V. Solovyev , S. V. Streltsov

A new class of rare-earth-free permanent magnets is proposed. The parent compound of this class is Co$_3$Mn$_2$Ge, and its discovery is the result of first principles theory combined with experimental synthesis and characterisation. The…

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…

Magnetic damping has a significant impact on the performance of various magnetic and spintronic devices, making it a long-standing focus of research. The strength of magnetic damping is usually quantified by the Gilbert damping constant in…

材料科学 · 物理学 2023-09-21 Liangliang Hong , Changsong Xu , Hongjun Xiang

In this paper, we investigate the demagnetizing effect in ferrite/PZT/ferrite magnetoelectric (ME) trilayer composites consisting of commercial PZT discs bonded by epoxy layers to Ni-Co-Zn ferrite discs made by a reactive Spark Plasma…

材料科学 · 物理学 2018-03-28 V. Loyau , A. Aubert , M. Lobue , F. Mazaleyrat

A novel strategy of stacking binary magnets to enhance the magneto crystalline anisotropy is explored. This strategy is used in the search for hard magnets by studying FePt/MnGa and FePt/MnAl stacks. The choice of these binaries is…

材料科学 · 物理学 2015-04-30 Yu-ichiro Matsushita , Galia Madjarova , C. Felser , S. Sharma , J. K. Dewhurst , E. K. U. Gross