相关论文: A Magnetic Model for the Ordered Double Perovskite…
High formal valence Os-based double perovskites are a focus of current interest because they display strong interplay of large spin orbit coupling and strong electronic correlation. Here we present the electronic and magnetic…
Phase diagram of half-doped perovskite manganites is studied within the extended double-exchange model. To demonstrate the role of orbital degrees of freedom both one- and two-orbital models are examined. A rich phase diagram is obtained in…
We present results from ab initio calculations based on density functional theory for bismuth-based double perovskite Bi2MnTiO6. Using total energy calculation with stress and force minimization we have predicted the equilibrium crystal…
We present a comprehensive study on the magnetic structure, dynamics, and phase evolution in the single-phase double perovskite $La_2CoMnO_6$. The mixed valence state due to oxygen deficiency is verified by X-ray photoelectron spectroscopy,…
We use first-principles density functional theory-based calculations to investigate structural instabilities in the high symmetry cubic perovskite structure of rare-earth (R $=$ La, Y, Lu) and Bi-based biferroic chromites, focusing on…
We show that upon Tb substitution the interaction between the magnetic moments on the impurity Tb$^{4+}$ ion and its surrounding Ir$^{4+}$ ions is described by a "compass" model, i.e., Ising-like interaction favoring the magnetic moments…
The two-orbital double-exchange model is employed for the study of the magnetic and orbital orders in ($R$MnO$_3$)$_n$/($A$MnO$_3$)$_{2n}$ ($R$: rare earths; $A$: alkaline earths) superlattices. The A-type antiferromagnetic order is…
Magnetite is an important mineral with many interesting applications related to its magnetic, electrical and thermal properties. Typically studied by electronic structure calculations, these methods are unable to capture the complex ion…
We describe the design of a new magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly-insulating…
We present a neutron powder diffraction study of the monoclinic double perovskite systems Nd2NaB'O6 (B' = Ru, Os), with magnetic atoms occupying both the A and B' sites. Our measurements reveal coupled spin ordering between the Nd and B'…
High-entropy perovskites (HEPs) offer a unique platform for exploring magnetic phenomena arising from extreme B-site chemical disorder. In Sm(M7)O$_3$, where there are 7 cations in equal amounts at the B-site; M = Ti, Cr, Mn, Fe, Co, Ni,…
Exchange bias effect in the ferromagnetic double perovskite compound Y$_2$CoMnO$_6$, which is also a multiferroic, is reported. The exchange bias, observed below 8~K, is explained as arising due to the interface effect between the…
Double perovskite Bi$_2$FeCrO$_6$, related with BiFeO$_3$, is very interesting because strong ferroelectricity and high magnetic Curie temperature beyond room temperature are observed in it. However, existing density-functional-theory (DFT)…
Multiferroic materials, in which ferroelectric and magnetic ordering coexist, are of fundamental interest for the development of novel memory devices that allow for electrical writing and non-destructive magnetic readout operation. The…
We use the three-dimensional Heisenberg model with site randomness as an effective model of the compound Sr(Fe$_{1-x}$Mn$_x$)O$_2$. The model consists of two types of ions that correspond to Fe and Mn ions. The nearest-neighbor interactions…
Vacancy-ordered halide double perovskites hosting 4d/5d transition metals have emerged as a distinct platform for investigating unconventional magnetism arising out of the interplay of strong atomic spin-orbit coupling (SOC) and Coulomb…
The low-temperature properties of the so-called ''charge ordered'' state in 50% doped perovskite manganites are described from the viewpoint of the magnetic spin ordering. In these systems, the zigzag antiferromagnetic ordering, combined…
We present a density functional theory study of the low-temperature structural, magnetic, and proposed charge-quadrupolar ordering in the double perovskite, Ba$_2$MgReO$_6$. Ba$_2$MgReO$_6$ is a spin-orbit-driven Mott insulator with a…
Using the constrained-path Monte Carlo method, a two-orbital model for the pnictide superconductors is studied at half filling and in both the electron- and hole-doped cases. At half filling, a stable $(\pi,0)$/$(0,\pi)$ magnetic order is…
The electronic structure of perovskite manganese oxides is investigated in terms of a Kondo lattice model with ferromagnetic Hund coupling and antiferromagnetic exchange between $t_{2g}$-spins using a finite temperature diagonalization…