Related papers: Electronic structure, magnetism and spin fluctuati…
The electronic structure of Y$_{4}$Co$_{3}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that Y$_{4}$Co$_{3}$ is very close to ferromagnetic instability. The Fermi…
We report a density functional study of the electronic structure and magnetism of Y2Ni7. The results show itinerant magnetism very similar to that in the weak itinerant ferromagnet Ni3Al. The electropositive Y atoms in Y2Ni7 serves to…
The electronic structures, charge and spin dynamics of the cobalt pnictide compounds ACo2As2 (A=Ba, Sr, Ca) in the paramagnetic state are investigated by using density functional theory combined with dynamical mean-field theory. In contrast…
The electronic structure of quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$ is studied through systematic first-principles calculations. The ground state of K$_2$Cr$_3$As$_3$ is paramagnetic but very close to a ferromagnetic…
Cobaltates have rich spin-states and diverse properties. Using spin-state pictures and firstprinciples calculations, here we study the electronic structure and magnetism of the mixed-valent double perovskite YBaCo2O6. We find that YBaCo2O6…
We propose a quantitative model for triplet superconductivity in Sr_2RuO_4 based on first principles calculations for the electronic structure and magnetic susceptibility. The superconductivity is due to ferromagnetic spin fluctuations,…
Some doped semiconductors have recently been shown to display superconductivity or weak ferromagnetism. Here we investigate the electronic structure and conditions for magnetism in a supercells of cubic XW_{26}O_{81}, where X=Nb,V and Re.…
We report a systematic study of the structure, electric and magnetic properties of Ca$_3$Co$_{2-x}$Mn$_x$O$_6$ single crystals with $x =$ 0.72 and 0.26. The DC and AC magnetic susceptibilities display anomalies with characteristic of the…
We present a low-energy muon-spin-rotation study of the magnetic and superconducting properties of YBa2Cu3O7/PrBa2Cu3O7 trilayer and bilayer heterostructures. By determining the magnetic-field profiles throughout these structures we show…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
Cobalt based sulphides of compositional formula Co$ _{3} $A$ _{2} $S$ _{2} $ (A = Sn and In) are endowed with frustrated kagome lattice structure and a plethora of novel phenomena determined from the topological band structure. Here-in, we…
Density functional calculations are used to investigate the doping dependence of the electronic structure and magnetic properties in hexagonal Na$_x$CoO$_2$. The electronic structure is found to be highly two dimensional, even without…
The complex magnetic structures, spin-reorientation and associated exchange interactions have been investigate in Er$_{0.5}$Dy$_{0.5}$FeO$_3$ using bulk magnetization, neutron diffraction, specific heat measurements and density functional…
CoO has an odd number of electrons in its unit cell, and therefore is expected to be metallic. Yet, CoO is strongly insulating owing to significant electronic correlations, thus classifying it as a Mott insulator. We investigate the…
We report calculations of the electronic structure and magnetic properties of YFe$_2$Ge$_2$ and discuss the results in terms of the observed superconductivity near magnetism. We find that YFe$_2$Ge$_2$ is a material near a magnetic quantum…
By systematic first-principles calculations, we study the electronic structure and magnetic property of SrCrO$_3$. Our results suggest that SrCrO$_3$ is a weakly correlated antiferromagnetic (AF) metal, a very rare situation in…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
We report on a solution-growth based method to synthesise single crystals of Y$_2$Co$_3$ and on its structural and magnetic properties. We find that Y$_2$Co$_3$ crystallizes in the La2Ni3-type orthorhombic structure with space group Cmce…
Y$_2$Co$_3$ is a newly discovered antiferromagnetic (AFM) compound with distorted kagome layers. Previous investigations via bulk magnetization measurements suggested a complex noncollinear magnetic behavior, with magnetic moments primarily…
Using density functional theory plus self-consistent Hubbard $U$ (DFT$+U_{sc}$) calculations, we have investigated the structural and electronic properties of the rare-earth cobaltites \textit{R}CoO$_3$ (\textit{R} = Pr -- Lu). Our…