Related papers: Electronic Structure and Bulk Spin Valve Behavior …
In order to clarify the mechanism of spin polarization in potassium-loaded zeolite A, we perform {\em ab initio} density-functional calculations. We find that (i) the system comprising only non-magnetic elements (Al, Si, O and K) can indeed…
The electronic structure of the perovskite LaCoO$_3$ for different spin states of Co ions was calculated in the LDA+U approach. The ground state was found to be a nonmagnetic insulator with Co ions in a low-spin state. Somewhat higher in…
For a fermion gas with equally spaced energy levels that is subjected to a magnetic field, the particle density is calculated. The derivation is based on the path integral approach for identical particles, in combination with the inversion…
Focus is given on the macroscopic and microscopic experimental works realized during a decade on the clear case of itinerant metamagnetism in the heavy fermion paramagnetic compound CeRu2Si2 . Emphasis is made on the feedback between the…
We address the interplay between stacking and interlayer exchange for ferromagnetically ordered CrI$_3$, both for bilayers and bulk. Whereas bulk CrI$_3$ is ferromagnetic, both magneto-optical and transport experiments show that interlayer…
We explore the structural and electronic properties of the bilayer nickelate La3Ni2O7 on LaAlO3(001) and SrTiO3(001) by using density functional theory including a Coulomb repulsion term. For La$_3$Ni$_2$O$_{7}$/LaAlO$_3$(001), we find that…
Systems with pronounced spin anisotropy play a pivotal role in advancing magnetization switching and spin-wave generation mechanisms, which are fundamental for spintronic technologies. Quasi-van der Waals ferromagnets, particularly…
Quasiperiodic structures possess long range positional order, but are freed of constraints imposed by translational invariance. For spins interacting via Heisenberg couplings, one may expect therefore to find novel magnetic configurations…
We demonstrate via a muon spin rotation experiment that the electronic ground state of the iridium spinel compound, CuIr$_2$S$_4$, is not the presumed spin-singlet state but a novel paramagnetic state, showing a quasistatic spin glass-like…
The electronic structure of UPd_2Al_3 is described using the self-interaction corrected local-spin-density approximation to density functional theory. The groundstate is found to be characterized by the coexistence of localized (f^2) and…
The occurrence of inhomogeneous spin-density distribution in multilayered ferromagnetic diluted magnetic semiconductor nanostructures leads to strong dependence of the spin-polarized transport properties on these systems. The spin-dependent…
We study numerically the ground state properties of the one-dimensional quarter-filled strongly correlated electronic system interacting antiferromagnetically with localized $S=1/2$ spins. It is shown that the charge-ordered state is…
The density of non-quasiparticle states in the ferrimagnetic full-Heuslers Mn$_2$VAl alloy is calculated from first principles upon appropriate inclusion of correlations. In contrast to most half-metallic compounds, this material displays…
The magnetic ground state of (Sr$_{1-x}$Ca$_x$)$_3$Ru$_2$O$_7$ (0 $\leq x \leq$ 1) is complex, ranging from an itinerant metamagnetic state (0 $\leq x <$ 0.08), to an unusual heavy-mass, nearly ferromagnetic (FM) state (0.08 $< x <$ 0.4),…
Electric-field control of spin-dependent properties has become one of the most attractive phenomena in modern materials research due the promise of new device functionalities. One of the paradigms in this approach is to electrically toggle…
We present first-principles results on the electronic and magnetic properties of the cubic bulk $\beta$-phase of iron(III) oxide (Fe$_2$O$_3$). Given that all Fe-Fe magnetic couplings are expected to be antiferromagnetic within this…
The interplay between electronic transport and antiferromagnetic order has attracted a surge of interest as recent studies have shown that a moderate change in the spin orientation of a collinear antiferromagnet may have a significant…
We report a study of spin-waves in ferromagnetic La$_{1-x}$Ca$_{x}$MnO$_3$, at concentrations x=0.17 and x=0.2 very close to the metallic transition (x=0.225). Below T$_C$, in the quasi-metallic state (T=150K), nearly q-independent energy…
Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…
In the light of recent interesting experimental work on MgV$_2$O$_4$ we employ the density functional theory to investigate the crucial role played by different interaction parameters in deciding its electronic and magnetic properties. The…