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The electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the recently proposed novel cuprate Cu$_2$F$_5$. Using the DFT+U calculation, it is shown that the compound is formed by…

Strongly Correlated Electrons · Physics 2021-08-11 Dmitry M. Korotin , Dmitry Y. Novoselov , Vladimir I. Anisimov , Artem R. Oganov

We report on a study of the electronic and magnetic properties of the triangular antiferromagnetic $\{Cu_3\}$ single-molecule magnet, based on spin density functional theory. Our calculations show that the low-energy magnetic properties are…

Mesoscale and Nanoscale Physics · Physics 2010-08-09 M. Fhokrul Islam , Javier F. Nossa , Carlo M. Canali , Mark Pederson

At the interface between a nonmagnetic metal (NM) and a ferromagnetic insulator (FI) spin current can interact with the magnetization, leading to a modulation of the spin current. The interfacial exchange field at these FI-NM interfaces can…

Mesoscale and Nanoscale Physics · Physics 2018-07-20 P. K. Muduli , M. Kimata , Y. Omori , T. Wakamura , Saroj P. Dash , YoshiChika Otani

The complex interplay between the 3d and 4f moments in hexagonal ErMnO3 is investigated by magnetization, optical second harmonic generation, and neutron-diffraction measurements. We revise the phase diagram and provide a microscopic model…

Strongly Correlated Electrons · Physics 2012-11-14 D. Meier , H. Ryll , K. Kiefer , B. Klemke , J. -U. Hoffmann , R. Ramesh , M. Fiebig

The competing magnetic ground states of the itinerant magnet EuCuSb, which has a hexagonal layered structure, were studied via magnetization, resistivity, and neutron diffraction measurements on single-crystal samples. EuCuSb has a…

We have attributed magnetism and electronic structure of V2O3 to the V3+ ions. We claim that the V3+ ion in V2O3 should be considered as described by the quantum numbers S=1 and L=3. Such quantum numbers result from two Hund's rules. The…

Strongly Correlated Electrons · Physics 2007-05-23 R. J. Radwanski , Z. Ropka

To explore the formation of noncollinear magnetic configurations in materials with strongly correlated electrons, we derive a noncollinear LSDA+$U$ model involving only one parameter $U$, as opposed to the difference between the Hubbard and…

Strongly Correlated Electrons · Physics 2019-08-21 S. L. Dudarev , P. Liu , D. A. Andersson , C. R. Stanek , T. Ozaki , C. Franchini

The so-called neutron spin resonance consists of a prominent enhancement of the magnetic response at a particular energy and momentum transfer upon entering the superconducting state of unconventional superconductors. In the case of…

Superconductivity · Physics 2019-06-21 Daniel D. Scherer , Brian M. Andersen

Inelastic neutron scattering on the spin-chain compound Sr$_3$NiIrO$_6$ reveals gapped quasi-1D magnetic excitations. The observed one-magnon band between 29.5 and 39 meV consists of two dispersive modes. The spin wave spectrum could be…

Strongly Correlated Electrons · Physics 2015-01-26 W. Wu , D. T. Adroja , S. Toth , S. Rayaprol , E. V. Sampathkumaran

The magnetic spin dynamics and optical properties of EuZn$_2$P$_2$ are studied. Single crystals grown by the Sn-flux method crystallize in the $P\overline{3}m1$ (No.~164) space group and order antiferromagnetically at $T_N=23.5$~K.…

EuTiO_3, which is a G-type antiferromagnet below T_N = 5.5 K, has some fascinating properties at high temperatures, suggesting that macroscopically hidden dynamically fluctuating weak magnetism exists at high temperatures. This conjecture…

Materials Science · Physics 2014-09-04 Z. Guguchia , H. Keller , R. K. Kremer , J. Kohler , H. Luetkens , T. Goko , A. Amato , A. Bussmann-Holder

The interlayer coupling between (Ga,Mn)As ferromagnetic layers in all-semiconductor superlattices is studied theoretically within a tight-binding model, which takes into account the crystal, band and magnetic structure of the constituent…

Materials Science · Physics 2009-11-11 P. Sankowski , P. Kacman

We present a femtosecond optical pump-probe study of the multiferroic manganite Eu$_{0.75}$Y$_{0.25}$MnO$_3$. The optical response of the material at pump energies of 1.55 and 3.1 eV is dominated by the $d$-$d$ and $p$-$d$ transitions of…

The recent research interests in the non-relativistic spin splitting of electronic band structures have led to the exploration of altermagnets and other compensated magnets. Here, we show that various types of non-relativistic spin…

Materials Science · Physics 2025-01-03 Yunsong Liu , Yanlong Liu , Xuefei Wang , Nan Xia , Guifang Xu , Yi Wang , Haifeng Wang , Weiwei Gao , Jijun Zhao

Neutron spectroscopy measurements have been performed on single crystals of the antiferromagnetic van der Waals compound NiPS$_3$. Linear spin wave theory using a Heisenberg Hamiltonian with single-ion anisotropies has been applied to…

Strongly Correlated Electrons · Physics 2022-12-19 A. R. Wildes , J. R. Stewart , M. D. Le , R. A. Ewings , K. C. Rule , G. Deng , K. Anand

Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…

Strongly Correlated Electrons · Physics 2025-07-21 David J. Abramovitch , Jennifer Coulter , Sophie Beck , Andrew Millis

The presence of spin-polarized charge carriers in metallic magnets provides a mechanism for spin-lattice interactions mediated by electron-phonon coupling. Here, we present a theory of this mechanism used to estimate its effect on the…

Materials Science · Physics 2024-08-20 Danis I. Badrtdinov , Mikhail I. Katsnelson , Alexander N. Rudenko

Experimentally, the intermetallic compound Mn$_{4}$FeGe$_{3}$ has been recently shown to exhibit enhanced magnetic properties and spin polarization compared to the Mn$_{5}$Ge$_{3}$ parent compound. The present {\em ab-initio} study focusses…

Materials Science · Physics 2011-12-30 A. Stroppa , G. Kresse , A. Continenza

The dielectric constant of the incipient ferroelectric EuTiO$_3$ exhibits a sharp decrease at about 5.5K, at which temperature antiferromagnetic ordering of the Eu spins simultaneously appears, indicating coupling between the magnetism and…

Materials Science · Physics 2009-11-07 Qing Jiang , Hua Wu

Rare-earth-doped nitride phosphors are promising materials for solid-state lighting and photonic applications due to their thermal stability, sharp emission lines, and strong UV-blue absorption. In this work, we present a first-principles…

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