Related papers: Compensated magnetism by design in double perovski…
We present an ab initio study of double perovskite La$_2$VCuO$_6$, which was one of the earliest compounds suggested as a potential compensated half-metal. Two charge and spin configurations close in energy have been identified. (i) The…
The electronic structure of the spintronic material Sr$_2$CrReO$_6$ is studied by means of full-potential linear muffin-tin orbital method. Scalar relativistic calculations predict Sr$_2$CrReO$_6$ to be half-metallic with a magnetic moment…
Double-perovskite oxides that contain both 3d and 5d transition metal elements have attracted growing interest as they provide a model system to study the interplay of strong electron interaction and large spin-orbit coupling (SOC). Here,…
Double perovskite Sr$_2$CrOsO$_6$ is (or is very close to) a realization of a spin-asymmetric semimetallic compensated ferrimagnet, according to first principles calculations. This type of near-half metallic antiferromagnet is an unusual…
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…
The double perovskite \bnoo with heptavalent Os ($d^1$) is observed to remain in the ideal cubic structure ({\it i.e.} without orbital ordering) despite single occupation of the $t_{2g}$ orbitals, even in the ferromagnetically ordered phase…
Using the first-principles density functional approach, we investigate a material Pr$_2$MgIrO$_6$ (PMIO) of double perovskite structure synthesized recently. According to the calculations, PMIO is a magnetic Mott-Hubbard insulator…
The magnetic structure of Ca$_2$MnReO$_6$ double perovskite is investigated by neutron powder diffraction and bulk magnetization, showing dominant non-collinear Mn magnetic moments [$4.35(7)$ $\mu_B$] that are orthogonally aligned with the…
We establish the double perovskite Ba$_2$CeIrO$_6$ as a nearly ideal model system for j=1/2 moments, with resonant inelastic x-ray scattering indicating a deviation of less than 1% from the ideally cubic j=1/2 state. The local j=1/2 moments…
Unconventional magnetism including altermagnetism and unconventional compensated magnetism, characterized by its duality of real-space antiferromagnetic alignment and momentum-space spin splitting, has garnered widespread attention. While…
The first-principle study on double perovskite compound Ba$_2$PrVO$_6$ has been presented in this paper. By analysing band structures and integrated density of states, it is found that Ba$_2$PrVO$_6$ is ferromagnetic metallic within LSDA…
Metals with large positive magnetoresistance are rare. We demonstrate that antiferromagnetic metallic states, as have been predicted for the double perovskites, are excellent candidates for huge positive magnetoresistance. An applied field…
We predict through our first-principles calculations that four double perovskite oxides of Bi2ABO6 (AB = FeMo, MnMo, MnOs, CrOs) are half-metallic ferrimagnets. Our calculated results shows that the four optimized structures have negative…
Understanding magnetism in multiple magnetic sublattice system, driven by the interplay of varied nature of magnetic exchanges, is on one hand challenging and on other hand intriguing. Motivated by the recent synthesis of AA'BB'O_6 double…
Exploring new magnetic materials is essential for finding advantageous functional properties such as magnetoresistance, magnetocaloric effect, spintronic functionality, and multiferroicity. Versatile classes of double perovskite compounds…
The nearly well-ordered double perovskite La$_2$CrFeO$_6$ has been synthesized recently. Contrary to previous theoretical predictions, but in agreement with experimental observations, our first principle calculations indicate an insulating…
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…
Double perovskites like Sr$_2$FeMoO$_6$ are materials with half-metallic ground states and ferrimagnetic T$_{\rm{c}}$'s well above room temperature. This paper is the second of our comprehensive theory for half metallic double perovskites.…
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…
The electron spin polarization on half-metallic double-perovskites is usually conditioned to the ordered rock-salt arrangement of the transition-metal ions along the lattice. In this work, we investigate a polycrystalline sample of the…