Related papers: TiOCl, an orbital-ordered system?
The presence of spin-orbit coupling drives the anomalous magnetotransport at oxide interfaces and forms the basis for numerous intriguing properties of these 2D electron systems, such as topologically protected phases or anti-localization.…
Deformations in piezoelectric materials lead to conduction effects, which are due to two contributions: the relative displacements of the ionic cores, and the so-called orbital polarization. This work is devoted to the rigorous derivation…
X-ray resonant scattering at the K-edge of transition metal oxides is shown to measure the orbital order parameter, supposed to accompany magnetic ordering in some cases. Virtual transitions to the 3d-orbitals are quadrupolar in general. In…
We investigate the frustrated magnetic interactions in cubic transition metal oxides with orbital degeneracy. The $e_g$ orbitals order easier and their ordering explains the $A$-type antiferromagnetic phase in KCuF$_3$ and LaMnO$_3$. In…
Band calculations on HgBa$_2$CuO$_4$ and La$_{(2-x)}$Sr$_x$CuO$_4$ with phonon and spin-waves within the CuO planes show that partial gaps are created at various energies depending on wavelengths. Spin and phonon gaps appear at different…
We derive a spin-orbital Hamiltonian for a triangular lattice of e_g orbital degenerate (Ni^{3+}) transition metal ions interacting via 90 degree superexchange involving (O^{2-}) anions, taking into account the on-site Coulomb interactions…
The metallic surface states of a topological insulator support helical Dirac fermions protected by topology with their spin locked perpendicular to their momentum. They can acquire mass through magnetic doping or through hybridization of…
For materials where spin-orbit coupling is competitive with electronic correlations, the spatially anisotropic spin-orbital wavefunctions can stabilize degenerate states that lead to many and diverse quantum phases of matter. Here, we find…
The lattice dynamic properties and spin-phonon coupling in DyMn$_2$O$_5$ are studied by using the density-functional theory. The calculated phonon frequencies are in very good agreement with experiments. We then compare the phonon modes…
The key feature of an orbital wave or orbiton is a significant dispersion, which arises from exchange interactions between orbitals on distinct sites. We study the effect of a coupling between orbitons and phonons in one dimension using…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave (ASW) electronic structure calculations as based on density functional theory and the local density approximation. This transition has…
The layer stacking order in 2D materials strongly affects functional properties and holds promise for next generation electronic devices. In bulk, octahedral MoTe$_2$ possesses two stacking arrangements, the Weyl semimetal T$_d$ phase, and…
Spin correlations in metallic and insulating phases of $V_2O_3$ and its derivatives are investigated using magnetic neutron scattering. Metallic samples have incommensurate spin correlations varying little with hole doping. Paramagnetic…
The electron-phonon and spin-phonon coupling in typical high-T_C cuprates, like LSCO and HBCO are peaked for just a few q-vectors because of the 2-dimensional Fermi surface shape. The activation of few spin-phonon modes compensates for the…
The generic changes of the electronic compressibility in systems which show magnetic instabilities is studied. It is shown that, when going into the ordered phase, the compressibility is reduced by an amount comparable to the its original…
In solid state physics, any phase transition is commonly observed as a change in the microscopic distribution of charge, spin, or current. Here we report the nature of an exotic order parameter inherent in the localized electron orbitals…
VOCl and other transition metal oxychlorides are candidate materials for next-generation rechargeable batteries. We have investigated the influence of the underlying magnetic order on the crystallographic and electronic structure by means…
A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…
We studied temperature and magnetic field dependence of magnetization, $M(T)$ and $M(B)$, on thiospinel FeCr$_{2}$S$_{4}$. We observed a step-like anomaly at $T_{OO} \sim$ 9 K for $M$($T$) attributed to an orbital order transition in…