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We have performed a comprehensive, first-principles high-throughput study of the magnetic properties of halide double perovskites, $Cs_2BB^\prime Cl_6$, with magnetic ions occupying one or both B and B$^\prime$ sites. Our findings indicate…

Materials Science · Physics 2023-06-16 Utkarsh Singh , Johan Klarbring , Igor A. Abrikosov , Sergei I. Simak

We propose experimental verification and theoretical explanation of magnetic anomalies in the complex Fe-contained double perovskite multiferroics like PbFe$_{1/2}$Nb$_{1/2}$O$_3$. The theoretical part is based on our model of coexistence…

Materials Science · Physics 2016-04-20 V. A. Stephanovich , V. V. Laguta

Combining experimental investigations and first-principles DFT calculations, we report physical and magnetic properties of Gd-substituted Y$_2$CoMnO$_6$ double perovskite, which are strongly influenced by antisite-disorder-driven spin…

Materials Science · Physics 2023-02-28 Anasua Khan , Sarita Rajput , M. Anas , V. K. Malik , T. Maitra , T. K Nath , A. Taraphder

The spin-fermion model was previously successful to describe the complex phase diagrams of colossal magnetoresistive manganites and iron-based superconductors. In recent years, two-dimensional magnets have rapidly raised up as a new…

Strongly Correlated Electrons · Physics 2023-08-22 Kaidi Xu , Di Hu , Jun Chen , Haoshen Ye , Lin Han , Shan-Shan Wang , Shuai Dong

The electronic structure and magnetism of Sr$_2$CeIrO$_6$, an Ir-based double perovskite system has been investigated using first-principles calculations. We found that a strong spin-orbit coupling dictate the electronic and magnetic…

Strongly Correlated Electrons · Physics 2013-01-29 S. K. Panda , I. Dasgupta

We consider strongly spin-orbit coupled double perovskites A$_2$BB'O$_6$ with B' magnetic ions in either $d^1$ or $d^2$ electronic configuration and non-magnetic B ions. We provide insights into several experimental puzzles, such as the…

Strongly Correlated Electrons · Physics 2021-08-04 Christopher Svoboda , Mohit Randeria , Nandini Trivedi

We report on atomic ordering of B-site transition-metals and magnetic properties of epitaxial La2CrFeO6 double-perovskite films grown by pulsed-laser deposition under various conditions. The highest ordered sample exhibited a fraction of…

Materials Science · Physics 2011-08-01 S. Chakraverty , A. Ohtomo , D. Okuyama , M. Saito , M. Okude , R. Kumai , T. Arima , Y. Tokura , S. Tsukimoto , Y. Ikuhara , M. Kawasaki

This paper is an overview of some recent work done on the double perovskites. We discuss the physics of selected double perovskite compounds emphasizing the relevant interactions and resulting observable phenomena such as the magnetic order…

Strongly Correlated Electrons · Physics 2025-09-03 Gayanath W. Fernando , Saikat Banerjee , R. Matthias Geilhufe

Coupling between different interactions allows to control physical aspects in multifunctional materials by perturbing any of the degrees of freedom. Here, we aim to probe the correlation among structural, electronic and magnetic observables…

Materials Science · Physics 2025-07-28 S. Majumder , M. Tripathi , D. O. de Souza , A. Sagdeo , L. Olivi , M. N. Singh , S. Pal , R. J. Choudhary , D. M. Phase

The magnetic properties of the double perovskite oxide $Sr_{2}$FeMo$O_{6}$ are analyzed using a mixed-spin Ising model with spins $\left( \frac{1}{2},\frac{5}{2}\right) $ in the presence of a random crystal field $\Delta$ and exchange…

Statistical Mechanics · Physics 2025-03-10 Said Khaireddine , Redouane Assad , Mohammed El Falaki , Rachid Ahl Lamara , Lalla Btissam Drissi

The functional characteristics of double perovskites with unique ferromagnetic-insulator ground state have been controversial due to the unavoidable presence of anti-site disorders (ASDs). Here, we aim to investigate the origin of magnetic…

We formulate a superexchange theory of insulating double-perovskite compounds such as Sr$_2$FeWO$_6$. An effective spin-orbital Hamiltonian is derived in the strong coupling limit of Hubbard model for d-electrons on Fe and W ions. The…

Strongly Correlated Electrons · Physics 2009-11-10 S. Di Matteo , G. Jackeli , N. B. Perkins

The magnetic excitations of the iron pnictides are explained within a degenerate double-exchange model. The local-moment spins are coupled by superexchanges $J_1$ and $J_2$ between nearest and next-nearest neighbors, respectively, and…

Strongly Correlated Electrons · Physics 2015-05-18 Weicheng Lv , Frank Krüger , Philip Phillips

In response to the experimental discovery of double perovskite Ru- base material, The magnetic and electronic properties of the double exchange mechanism are studied theoretically. The electron band structure and the spin wave spectrum…

Strongly Correlated Electrons · Physics 2007-05-23 Hai-cang Ren , Maw-kuen Wu

Magnetic double perovskite compounds provide a fertile playground to explore interesting electronic and magnetic properties. By complementary macroscopic characterizations, neutron powder diffraction measurements and first-principles…

Strongly Correlated Electrons · Physics 2024-04-03 Cheng Su , Xu-Tao Zeng , Kaitong Sun , Denis Sheptyakov , Ziyu Chen , Xian-Lei Sheng , Haifeng Li , Wentao Jin

Ordered double perovskite oxides of the general formula, A2BB'O6, have been known for several decades to have interesting electronic and magnetic properties. However, a recent report of a spectacular negative magnetoresistance effect in a…

Materials Science · Physics 2007-05-23 Sugata Ray , D. D. Sarma

We present the magnetic structure of $\mathrm{TmMn_3O_6}$, solved via neutron powder diffraction - the first such study of any $R\mathrm{Mn_3O_6}$ A-site columnar-ordered quadruple perovskite to be reported. We demonstrate that long range…

Strongly Correlated Electrons · Physics 2019-03-27 A. M. Vibhakar , D. D. Khalyavin , P. Manuel , L. Zhang , K. Yamaura , P. G. Radaelli , A. A. Belik , R. D. Johnson

The B-site disorder in the d5 - d3 system of perovskites has been analyzed with molecular field theory and Monte Carlo method. The model is applicable to RFe1-pCrpO3 at any p value. When the saturation magnetization MS and phase transition…

Materials Science · Physics 2023-03-28 Jiajun Mo , Min Liu , Shiyu Xu , Qinghang Zhang , Jiyu Shen , Puyue Xia , Yanfang Xia , Jizhou Jiang

Double perovskite-based magnets wherein frustration and competition between emergent degrees of freedom are at play can lead to novel electronic and magnetic phenomena. Herein, we report the electronic structure and magnetic properties of…

Using a Dirac-Heisenberg Hamiltonian with biquadratic exchange interactions, we study the effect of iron disproportionation on the magnetic ordering, and describe the first-order magnetic transition occurring in the perovskite…

Strongly Correlated Electrons · Physics 2009-10-30 H. Kachkachi , P. Kornilovitch , Y. Meurdesoif , J. -C. Grenier , F. Zhou