相关论文: Band Structure and Transport Properties of CrO_2
The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…
The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO_2 is addressed by performing density functional electronic structure calculations in the…
We apply a method that combines the tight-binding approximation and the Lowdin down-folding procedure to evaluate the electronic band structure of the newly discovered pressure-induced superconductor CrAs. By integrating out all low-lying…
We present electronic structure calculations of a CrO$_{2}$ compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO$_{2}$ in the…
We present electronic structure calculations in combination with local and non-local many-body correlation effects for the half-metallic ferromagnet CrO$_2$. Finite-temperature Dynamical Mean Field Theory results show the existence of…
A theoretical study of magnetic field (h) effects on single-particle spectra and transport quantities of heavy fermion metals in the paramagnetic phase is carried out. We have employed a non-perturbative local moment approach (LMA) to the…
The spin-dependent band structure of CoS$_2$ which is a candidate for a half-metallic ferromagnet was investigated by both spin- and angle-resolved photoemission spectroscopy and theoretical calculations, in order to reappraise the…
The orbital character, orientation, and magnetic polarization of the O 2$p$ unoccupied states near the Fermi level ($E_F$) in CrO$_2$ was determined using polarization-dependent X-ray absorption spectroscopy (XAS) and X-ray magnetic…
After theoretical determination of the internal structural coordinates in Li$_2$Pd$_3$B, we calculate and analyze its electronic structure and obtain the frequencies of the two $A_g$ phonons (40.6 meV for nearly pure Li mode, 13.0 meV for…
We measured the Raman spectra of ferromagnetic nearly half metal CoS2 in a broad temperature range. All five Raman active modes Ag, Eg, Tg(1), Tg(2) and Tg(3) were observed. The magnetic ordering is indicated by a change of the temperature…
Presence of magnetism in potentially altermagnetic RuO$_2$ has been a subject of intense debate. Using broadband infrared spectroscopy combined with density-functional band-structure calculations, we show that optical conductivity of…
We calculate resistivity in the paramagnetic phase just above the curie temperature in a $2d$ ferromagnetic metal. The required dynamical susceptibility in the formalism of resistivity is calculated within the Random Phase…
We have investigated electronic and magnetic properties of the pyrite-type CoS_2 using the linearized muffin-tin orbital (LMTO) band method. We have obtained the ferromagnetic ground state with nearly half-metallic nature. The half-metallic…
Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of $CrO_{2}$, we present results based on a combination of the actual bandstructure [3] with dynamical…
The large quantum oscillations observed in the thermoelectric power in the antiferromagnetic (AF) state of the heavy-fermion compound CeRh2Si2 disappear suddenly when entering in the polarized paramagnetic (PPM) state at Hc=26.5 T,…
We study the spin-density-wave instabilities in the quasi-one-dimensional conductor (TMTSF)_2ClO_4. The orientational order of the anions ClO_4 doubles the unit cell and leads to the presence of two electrnic bands at the Fermi level. From…
We have successfully calculated the electronic and structural properties of chromia (Cr_2O_3) in the Local Spin Density Approximation (LSDA). We predict a transformation from the corundum to the Rh_2O_3(II) structure around 15 GPa in the…
We consider a Kondo impurity coupled to a fermionic host with a power-law density of states near the Fermi level, rho(epsilon) ~ |epsilon|^r, with exponent r<0. Using both perturbative renormalization group (poor man's scaling) and…
Electron spectrum of 2D and 3D antiferromagnetic metals is calculated with account of spin-fluctuation corrections within perturbation theory in the s-f exchange model. Effects of the interaction of conduction electrons with spin waves in…
Magnetic properties under the external field are investigated in low-carrier two-band systems, which may explain the nontrivial phase boundary found in temperature vs. magnetic field diagram discovered in some materials, such as…