相关论文: Re-examination of half-metallic ferromagnetism for…

We study the electronic structure and magnetism of 25% Mn substituted cubic Zirconia (ZrO2) with several homogeneous and heterogeneous doping profiles using density-functional theory calculations. We find that all doping profiles show…

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…

We present the G$_0$W$_0$ band structure, core levels, and deformation potential of monolayer FeSe in the paramagnetic phase based on a starting mean field of the Kohn Sham density functional theory (DFT) with the PBE functional. We find…

Magnonic quasicrystals exceed the possibilities of spin wave (SW) manipulation offered by regular magnonic crystals, because of their more complex SW spectra with fractal characteristics. Here, we report the direct x-ray microscopic…

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…

In this paper, we use the first-principles calculations based on the density functional theory to investigate structural, electronic and magnetic properties of Fe$_{2}$YSn with (Y = Mn, Ti and V). The generalized gradient approximation…

We present results for the electronic structure of alpha uranium using a recently developed quasiparticle self-consistent GW method (QSGW). This is the first time that the f-orbital electron-electron interactions in an actinide has been…

BaRuO3 having five different crystal structures has been synthesized by varying the pressure while sintering. Contrary to the other phases being nonmagnetic, the cubic perovskite phase synthesized recently shows an itinerant ferromagnetic…

We present a comprehensive theory of the temperature- and disorder-dependence of half-metallic ferrimagnetism in the double perovskite Sr$_2$FeMoO$_6$ (SFMO) with $T_c$ above room temperature. We show that the magnetization $M(T)$ and…

We successfully synthesized polycrystalline LK-99-like ceramic samples with a solid-state-sintering method. Powder X-ray diffraction shows that the main contents are $\mathrm{Pb_{10-x}Cu_x(PO_4)_6O}$ and $\mathrm{Cu_2S}$, consistent with…

Spin semimetals are amongst the most recently discovered new class of spintronic materials, which exhibit a band gap in one spin channel and semimetallic feature in the other, thus facilitating tunable spin transport. Here, we report…

We introduce an alternative route to quasiparticle self-consistent $GW$ calculations ($\mathrm{qs}GW$) on the basis of a Joint Approximate Diagonalization of the one-body $GW$ Green's functions $G(\varepsilon_n^{QP})$ taken at the input…

Experimental evidence for a plethora of low energy spin excitations in the spin-1/2 kagome antiferromagnet ZnCu3(OH)6Cl2 may be understandable in terms of an extended Fermi surface of spinons coupled to a U(1) gauge field. We carry out…

The ground-state properties of Fe, Co, and Ni are studied with the linear-augmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant, bulk modulus, and magnetic moment with both the…

Cubic perovskite-structure ABO$_3$ and A$_{1-x}$A$^{\prime}$$_x$BO$_3$-type oxides have been investigated extensively while their hexagonal-structure versions have received minimal attention, even though they are multiferroic and can form…

This is a representation of the first Raman and IR / FIR spectra for orthorhombic copper polysilicate, CuSiO3, measured at room temperature on polycrystalline samples and a comparison of the optical phonons with those observed for the…

Semiconductor structures using ferromagnetic semiconductors as spin injectors are promising systems for future spintronic devices. Here, we present combined photoluminescence (PL) and time-resolved magneto-optical experiments of a nominally…

By means of density-functional simulations for half-doped manganites, such as pseudocubic Pr0.5Ca0.5MnO3 and bilayer PrCa2Mn2O7, we discuss the occurrence of ferroelectricity and we explore its crucial relation to the crystal structure and…

Inelastic neutron scattering profiles of spin waves in the dilute quasi-one-dimensional Ising-like antiferromagnet CsCo_{0.83}Mg_{0.17}Br_3 have been investigated. Calculations of S^{xx}(Q,omega), based on an effective spin Hamiltonian,…

We combine time resolved pump-probe Magneto-Optical Kerr Effect and Photoelectron Spectroscopy experiments supported by theoretical analysis to determine the relaxation dynamics of delocalized electrons in half-metallic ferromagnetic…