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Related papers: Why the magnetic interactions in Na$_{x}$CoO$_{2}$…

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The copper fluoride Cu$_2$F$_5$ is a compound with 2D-magnetic exchange interactions between the Cu ions in the $S=1$ and $S=\frac{1}{2}$ spin-states. Using ab-initio calculations, we predict that the existence of 5% vacancies in the…

Strongly Correlated Electrons · Physics 2023-03-28 Dmitry M. Korotin , Dmitry Y. Novoselov , Vladimir I. Anisimov

We derived simple rules for the sign of superexchange interaction based on the multielectron calculations of the superexchange interaction in the transition metal oxides that are valid both below and above spin crossover under high…

Materials Science · Physics 2020-03-18 Vladimir A. Gavrichkov , Semyon I. Polukeev , Sergey G. Ovchinnikov

Question about the appearance of different magnetic structures in the family of compounds La1-xCaxMnO3,is investigated theoretically. It is supposed that the whole series has GdFeO3 structure type. The problem is considered at absolute zero…

Strongly Correlated Electrons · Physics 2007-05-23 B. V. Karpenko , L. D. Falkovskaya , A. V. Kuznetsov

Bulk and nanoparticle powders of LaCoO3 (LCO) were synthesized, and their magnetic and structural properties were studied using SQUID magnetometry and neutron diffraction. The bulk and large nanoparticles exhibit weak ferromagnetism (FM)…

Strongly Correlated Electrons · Physics 2015-06-23 A. M. Durand , D. P. Belanger , T. J. Hamil , F. Ye , S. Chi , J. A. Fernandez-Baca , C. H. Booth , Y. Abdollahian , M. Bhat

The results of ac and dc magnetization and heat capacity measurements on the oxides, Ca$_3$Co$_{1+x}$Mn$_{1-x}$O$_6$, forming in a K$_4$CdCl$_6$-derived rhombohedral quasi-one-dimensional crystal structure, are reported. As far as…

Strongly Correlated Electrons · Physics 2009-11-10 S. Rayaprol , Kausik Sengupta , E. V. Sampathkumaran

We report on the phase diagram of competing magnetic interactions at nanoscale in engineered ultra-thin trilayer heterostructures of LaTiO$_{3}$/SrTiO$_{3}$/YTiO$_{3}$, in which the interfacial inversion symmetry is explicitly broken.…

Two perovskite-derived materials, CaCu3Mn4O12 and CaCu3Ti4O12, have drawn much recent interest due to their magnetoresistive, dielectric, and magnetoelectronic characteristics. Here we present initial theoretical insights into each of these…

Materials Science · Physics 2007-05-23 M. D. Johannes , W. E. Pickett , R. Weht

We recently reported the observation of room temperature ferromagnetism in mixtures of ZnO and Co3O4 despite the diamagnetic and antiferromagnetic character of these oxides respectively. Here we present a detailed study on the electronic…

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

Using ab initio wave-function-based calculations, we provide valuable insights with regard to the magnetic exchange in 5$d$ and 4$d$ oxides with face-sharing ligand octahedra, BaIrO$_3$ and BaRhO$_3$. Surprisingly strong antiferromagnetic…

Strongly Correlated Electrons · Physics 2019-03-18 Lei Xu , Ravi Yadav , Viktor Yushankhai , Liudmila Siurakshina , Jeroen van den Brink , Liviu Hozoi

We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…

Computational Physics · Physics 2015-10-14 S. Keshavarz , Y. O. Kvashnin , I. Di Marco , A. Delin , M. I. Katsnelson , A. I. Lichtenstein , O. Eriksson

We study the magnetic structure of the (LaMnO$_3$)$_{2n}$/(SrMnO$_3$)$_n$ superlattices from density-functional calculations. In agreement with the experiments, we find that the magnetism changes with the layer thickness `n'. The reason for…

Materials Science · Physics 2010-03-10 B. R. K. Nanda , S. Satpathy

Specific heat of the layered NaxCoO2 (x=0.65, 0.70 and 0.75) oxides has been measured in the temperature range of 3-360 K and magnetic field of 0 and 9 T. The analysis of data, assuming the combined effect of inter-layer superexchange and…

Strongly Correlated Electrons · Physics 2009-11-11 A. Zorkovska , M. Orendac , J. Sebek , E. Santava , P. Svoboda , I. Bradaric , I. Savic , A. Feher

The magnetic and transport properties are systematically studied on the single crystal $Na_{0.55}CoO_2$ with charge ordering and divergency in resistivity below 50 K. A long-range ferromagnetic ordering is observed in susceptibility below…

Strongly Correlated Electrons · Physics 2009-11-11 C. H. Wang , X. H. Chen , T. Wu , X. G. Luo , G. Y. Wang , J. L. Luo

To explore how anion substitution modifies the existing magnetism in strongly correlated oxides, we investigate local electronic states and magnetic ordering in nickel oxide (NiO) induced by substituting oxygen (O) with nitrogen (N). Each N…

The delicate balance between spin-orbit coupling, Coulomb repulsion and crystalline electric field interactions observed in Ir-based oxides is usually manifested as exotic magnetic behavior. Here we investigate the evolution of the exchange…

The dielectric properties of Fe$_{3}$O$_{4}$ magnetic nanoparticles with an insulating coating layer of SiO$_{2}$ were investigated. At high temperatures, the changes of the dielectric constant and loss induced by the magnetic field are…

Materials Science · Physics 2011-03-18 C. -C. Chang , L. Zhao , M. -K. Wu

Magnetic systems exhibiting exchange bias effect are being considered as materials for applications in data storage devices, sensors and biomedicine. As the size of new mag- netic devices is being continuously reduced, the influence of…

A two dimensional electronic system with novel electronic properties forms at the interface between the insulators LaAlO$_3$ and SrTiO$_3$. Samples fabricated until now have been found to be either magnetic or superconducting, depending on…

Materials Science · Physics 2015-05-13 Lu Li , C. Richter , J. Mannhart , R. C. Ashoori

In this paper we study the possible relation between the electronic and magnetic structure of the TiO2/LaAlO3 interface and the unexpected magnetism found in undoped TiO2 films grown on LaAlO$_3$. We concentrate on the role played by…

Materials Science · Physics 2012-04-13 Mariana Weissmann , V. Ferrari , Andres Saul