Related papers: Orbital-ordering driven structural distortion in m…
The electronic structure of the topmost layer in Sr2RuO4 in the close vicinity of the Fermi level is investigated by angle-resolved photoemission spectroscopy (ARPES) with a 7-eV laser. We find that the spin-orbit coupling (SOC) predicted…
We analyze electronic, magnetic, and structural properties of the spinel compound MgTi$_2$O$_4$ using the local density approximation+U method. We show how MgTi$_2$O$_4$ undergoes to a canted orbital-spin ordered state, where charge, spin…
The ferrimagnetic spinel $\mathrm{CoV_2O_4}$ has been a topic of intense recent interest, both as a frustrated insulator with unquenched orbital degeneracy and as a near-itinerant magnet which can be driven metallic with moderate applied…
SrIrO$_3$ crystallizes in a monoclinic structure of distorted hexagonal perovskite at ambient pressure. The transport measurements show that the monoclinic SrIrO$_3$ is a low-carrier density semimetal, as in the orthorhombic perovskite…
This work focuses on the layered perovskite Sr$_2$NbO$_4$, a 4$d$ analogue of Sr$_2$VO$_4$, which remains an unsolved puzzle with a possible intriguing hidden magnetic order. Using density functional theory (DFT) calculations, we…
The phonon spectrum of cubic cadmium metastannate and the crystal structures of its distorted phases were calculated from first principles within the density functional theory. It is shown that the phonon spectrum and the energy spectrum of…
Low as well as high-temperature electron and x-ray diffraction studies have been carried out on a rare-earth free B-site disordered electron-doped manganite SrMn0.875.Mo0.125O3-{\delta} in the temperature range of 83K to 637K. These studies…
Motivated by the nickel valence controversy in the perovskite nickelate RNiO_3, we consider a one-dimensional underscreened Kondo chain consisting of alternating spin-1 ("nickel") and electron ("oxygen") sites, which in addition to the…
We report on the electronic structure of the perovskite oxide CaCrO3 using valence-band, core-level, and Cr 2p - 3d resonant photoemission spectroscopy (PES). Despite its antiferromagnetic order, a clear Fermi edge characteristic of a metal…
The weakly interacting S=1/2 dimers system Sr3Cr2O8 has been investigated by powder neutron diffraction and inelastic neutron scattering. Our data reveal a structural phase transition below room temperature corresponding to an…
We theoretically investigate effects of lattice distortions on the spin ordering of classical Heisenberg antiferromagnets on the breathing pyrochlore lattice. In the model, local lattice distortions originating from the site vibration are…
We study theoretically low-temperature phases of a recently synthesized compound Sr$_2$CoO$_3$F under pressure. The analysis combining LDA+DMFT and a strong-coupling effective model points to the existence of not only normal paramagnetic…
Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of…
The Pr$_{0.50}$Sr$_{0.5}$0CoO$_3$ perovskite exhibits unique magnetostructural properties among the rest of ferromagnetic/metallic Ln$_{0.50}$Sr$_{0.50}$CoO$_3$ compounds. The sudden orthorhombic-tetragonal (Imma $\to$ I4/mcm) structural…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
Materials with strongly correlated electrons exhibit physical properties that are often difficult to predict as they result from the interactions of large numbers of electrons combined with several quantum degrees of freedom. The layered…
The effective Hamiltonian for perovskite titanates is derived by taking into account the three-fold degeneracy of $t_{2g}$ orbitals and the strong electron-electron interactions. The magnetic and orbital ordered phases are studied in the…
X-ray diffraction, dynamical mechanical analysis and infrared reflectivity studies revealed an antiferrodistortive phase transition in EuTiO3 ceramics. Near 300K the perovskite structure changes from cubic Pm-3m to tetragonal I4/mcm due to…
We combine the results of magnetic and transport measurements with Mossbauer spectroscopy and room-temperature diffraction data to construct the magnetic phase diagram of the new family of cubic perovskite manganites SrMn_1-xFe_xO_3. We…
We theoretically investigate the influence of internal and external strain on topological phases in (LaNiO$_3$)$_2$/(LaAlO$_3$)$_N$ heterostructures grown along the [111] direction. At the Hartree-Fock level, topological phases originate…