Related papers: Multifunctional Antiperovskites driven by Strong M…
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…
We have observed a sizable positive magnetocapacitance ($\sim$$5-90\%$) in perovskite Pr$_{0.55}$Ca$_{0.45}$MnO$_3$ and bilayer Pr(Sr$_{0.1}$Ca$_{0.9}$)$_2$Mn$_2$O$_7$ system under 5T magnetic field across 20-100 K below the magnetic…
We report the understanding of the electronic band structure of $Cs_4CuSb_2Cl_{12}$ perovskite through first-principles density-functional theory calculations. We find that the most stable state has the antiferromagnetic configuration where…
Characterizing non-local magnetic fluctuations in materials with strong electronic Coulomb interactions remains one of the major outstanding challenges of modern condensed matter theory. In this work we address the spatial symmetry and…
Double perovskites containing 4d--4f interactions provide a platform to study complex magnetic phenomena in correlated systems. Here, we investigate the magnetic ground state and quasiparticle excitations of the fascinating double…
The hybrid perovskites [CH$_3$NH$_3$]Co$_x$Ni$_{x-1}$(HCOO)$_3$ with $x$ = 0, 0.25, 0.5, 0.75 and 1.0 possess multiple phase transitions including incommensurate structures. [CH$_3$NH$_3$]Ni(HCOO)$_3$ has also been found to have a proper…
Magnetic structures of metastable perovskites ScCrO3, InCrO3 and TlCrO3, stabilized under high-pressure and high-temperature conditions, have been studied by neutron powder diffraction. Similar to the other orthochromites LnCrO3…
We use a group theoretical approach to enumerate the possible couplings between magnetism and ferroelectric polarisation in the parent $Pm\bar{3}m$ perovskite structure. We show that third order magnetoelectric coupling terms must always…
The field of double perovskites is now advancing to three magnetic elements on the A, B and B$'$ sites. A series of iridium-based double perovskite compounds, $Ln_2$CoIrO$_6$ ($Ln$ = Eu, Tb, Ho) with three magnetic elements were synthesized…
Multiferroics - materials which are simultaneously (ferro)magnetic and ferroelectric, and often also ferroelastic, attract now considerable attention, both because of the interesting physics involved and as they promise important practical…
Antiperovskites share the same structure as perovskites, but allow completely different chemistries and nominal charge states of anions to be stabilized. This gives rise to many interesting phenomena, including septet superconductivity and…
First-principles calculations are presented for the layered perovskite Ca$_3$Mn$_2$O$_7$. The results reveal a rich set of coupled structural, magnetic and polar domains in which oxygen octahedron rotations induce ferroelectricity,…
We theoretically studied the electronic structure, magnetic properties, and lattice dynamics of a series of $3d$ transition-metal antiperovskite compounds AXM$_{3}$ by density function theory. Based on the Stoner criterion, we drew the…
We report investigations of the structural, magnetic, electrical transport and thermal properties of five compositions of the metallic perovskite GdRh$_3$C$_{1-x}$B$_x$ ($0.00 \le x \le 1.00$). Our results show that all the five…
We report neutron scattering experiments which reveal a large spin gap in the magnetic excitation spectrum of weakly-monoclinic double perovskite Sr2ScOsO6. The spin gap is demonstrative of appreciable spin-orbit-induced anisotropy, despite…
We investigate the superconductivity of a three-dimensional d-p model with a multilayer perovskite structure on the basis of the second-order perturabation theory within the weak coupling framework. Our model has been designed with…
A quasi-one dimensional magnetism was discovered in the post-perovskite CaRuO3 (Ru4+: 4d4, Cmcm), which is iso-compositional with the perovskite CaRuO3 (Pbnm). An antiferromagnetic spin-chain function with -J/kB = 350 K well reproduces the…
The magnetic properties of the Mn$_3$Ga$_{(1-x)}$Sn$_x$C, 0 $\le$ x $\le$ 1 antiperovskite compounds have been investigated in detail. Though all compounds of this series crystallize in a cubic structure, the Ga rich (x $\le$ 0.2) compounds…
Magnetic materials with noncoplanar magnetic structures can show unusual physical properties driven by nontrivial topology. Topologically-active states are often multi-q structures, which are challenging to stabilize in models and to…
We put forward double perovskites of the R$_2$NiMnO$_6$ family (with $R$ a rare-earth atom) as a new class of multiferroics on the basis of {\it ab initio} density functional calculations. We show that changing $R$ from La to Y drives the…