Related papers: Electronic structure, magnetism and spin fluctuati…
Skutterudites are promising materials for thermoelectric and spintronics applications. Here we explore spin fluctuations in the FeSb$_{3}$ skutterudite and their effect on its electronic structure using Hubbard-corrected density-functional…
We study the electronic structure and the magnetic properties of epitaxial (Ni1-xCox)Fe2O4(111) layers (x = 0 - 1) with thicknesses d = 1.7 - 5.2 nm grown on Al2O3(111)/Si(111) structures, to achieve a high value of inversion parameter y,…
Polarized and unpolarized neutron triple-axis spectrometry was used to study the dynamical magnetic susceptibility $\chi^{\prime\prime}({\bf q},\omega)$ as a function of energy ($\hbar\omega$) and wave vector (${\bf q}$) in a wide…
One initial and essential question of magnetism is whether the magnetic properties of a material are governed by localized moments or itinerant electrons. Here we expose the case for the weakly ferromagnetic system FeGa$_{3-y}$Ge$_y$…
The mechanism behind superconductivity suppression induced by Pr substitutions in YBa$_2$Cu$_3$O$_{7-\delta}$ (YBCO) has been a mystery since its discovery: in spite of being isovalent to Y$^{3+}$ with a small magnetic moment, it is the…
The emergence of unconventional superconductivity is generally considered to be related to spin fluctuations. Unveiling the intriguing behaviors of spin fluctuations in parent compounds with layered transition-metal ions may shed light on…
Electronic structure calculations, using the charge and spin self-consistent Korringa- Kohn-Rostoker (KKR) method, have been performed for several $R$Mn$X$ compounds ($R$ = Mg, Ca, Sr, Ba, Y; $X$ = Si, Ge) of the CeFeSi-type structure. The…
In half-doped Pr0.50A0.50CoO3 metallic perovskites, the spin-lattice coupling brings about distinct magnetostructural transitions for A=Ca and A=Sr at temperatures close to 100 K. However, the ground magnetic properties of Pr0.50Sr0.50CoO3…
Co$_3$Sn$_2$S$_2$ has recently been predicted to be a Weyl semimetal in which magnetic order is key to its behavior as a topological material. Here we report unpolarized neutron diffraction and spherical neutron polarimetry measurements,…
Superconductivity in crystals without inversion symmetry has received extensive attention due to its unconventional pairing and possible nontrivial topological properties. Using first-principles calculations, we systemically study the…
We have examined the magnetic properties of superconducting YBa_2(Cu_0.96Co_0.04)_3O_y (y ~ 7, T_sc = 65 K) using elastic neutron scattering and muon spin relaxation (muSR) on single crystal samples. The elastic neutron scattering…
Chromium dioxide (CrO2) offers a rare example of metallic ferromagnetism among stoichiometric transition-metal oxides. What makes it even more remarkable is the half-metallic electronic structure. Today, CrO2 is widely used in…
The origin of both the Ising chain magnetism and ferroelectricity in Ca$_3$CoMnO$_6$ is studied by $ab$ $initio$ electronic structure calculations and x-ray absorption spectroscopy. We find that Ca$_3$CoMnO$_6$ has the alternate trigonal…
A detailed theoretical study on the electronic structure and magnetic properties of half-metallic ferromagnet CrO$_2$ was carried out by means of relativistic full-potential linear muffin-tin orbital method within the generalized gradient…
Electronic and magnetic structures of the newly synthesized cobalt oxyselenide La2Co2Se2O3 (structurally similar to the superconducting iron pnictides) are studied through density functional calculations. The obtained results show that this…
Magnetic properties and bonding analyses of perovskite structure Co$_{4}$N nitride have been investigated within density functional theory using both pseudo potential and all electron methods. In the same time, the structural and magnetic…
Calculations of the electronic and magnetic properties of the non-magnetic metallic compound YFe$_2$Si$_2$ are reported. These show that at the density functional level a magnetic state involving ordering along the $c$-axis. The electronic…
We investigate the electronic states and the transport properties of the CoO2 plane in NaxCoO2 on the basis of the two-dimensional triangular lattice 11-band d-p model by using the fluctuation exchange approximation, where we consider the…
Low dimensional crystallographic motifs have long been associated with desirable physical properties. The confinement of electrons to low dimensions is thought to enhance quantum fluctuations and may promote correlated phenomena. Here,…
We report detailed studies on ferromagnet--superconductor bilayer structures. Epitaxial bilayer structures of half metal--colossal magnetoresistive La$_{\mathrm{2/3}}$Ca$_{\mathrm{1/3}}$MnO$_{\mathrm{3}}$ (HM--CMR) and…