Related papers: Structural effects on the spin-state transition in…
We use density functional theory within the generalized gradient approximation to characterize the dielectric response of rare earth oxides: (La,Sc)2 O3 bixbyite, and LaScO3 perovskite. We focus on the role of strain on the phonon…
The structure and ground state electronic structure of the recently synthesized SrPdO$_3$ perovskite [A. Galal {\em et al.}, J. Power Sources, {\bf 195}, 3806 (2010)] have been studied by means of screened hybrid functional and the GW…
A gradual spin-state transition occurs in LaCoO3 around T~80-120 K, whose detailed nature remains controversial. We studied this transition by means of inelastic neutron scattering (INS), and found that with increasing temperature an…
A single crystalline system typically stabilizes a unique state for spin ordering below a critical temperature. Certain materials exhibit multiple magnetic states, driven by structural phase transitions under varying thermodynamic…
Quantum-disordered magnetic ground states are challenging to identify in three-dimensional (3D) oxides, where strong exchange pathways typically favour long-range magnetic order or spin freezing. The quadruple perovskite…
We report muon spin rotation and magnetic susceptibility experiments on in-plane stress effects on the static spin-stripe order and superconductivity in the cuprate system La2-xBaxCuO4 with x = 0.115. An extremely low uniaxial stress of 0.1…
We investigate the effect of pressure on the electronic and magnetic states of CdV$_2$O$_4$ by using ab initio electronic structure calculations. The Coulomb correlation and spin-orbit coupling play important role in deciding the…
We studied the spin-state responses to light impurity doping in low-spin perovskite LaCoO$_{3}$ (Co^3+: d^6) through magnetization and X-ray fluorescence measurements of single-crystal LaCo$_{0.99}$$M_{0.01}$O$_{3}$ ($M$ = Cr, Mn, Fe, Ni).…
We use the dynamical mean-field theory to study a p-d Hubbard Hamiltonian for LaCoO3 derived from ab initio calculations in local density approximation (LDA+DMFT scheme). We address the origin of local moments observed above 100 K and…
In a recent paper of Nandkishore and Senthil [arxiv:1201.5998 (2012)], a concept of orthogonal metal has been introduced to reinterpret the disordered state of slave-spin representation in the Hubbard model as an exotic gapped metallic…
Density functional theory calculations within the generalized gradient approximation are employed to study the ground state of Co2FeAl. Various magnetic configurations are considered to find out its most stable phase. The ferromagnetic…
We present Co $L_3$-edge resonant inelastic x-ray scattering (RIXS) of bulk LaCoO$_3$ across the thermally-induced spin-state crossover around 100~K. Owing to a high energy resolution of 25~meV, we observe unambiguously the dispersion of…
Many materials exhibit various types of phase transitions at different temperatures, with many also demonstrating polymorphism. Doping materials can significantly alter their conductivity. In light of this, we have investigated the…
We have investigated the electronic structure of meta-stable perovskite Ca1-xSrxIrO3 (x = 0, 0.5, and 1) thin films using transport measurements, optical spectroscopy, and first-principles calculations. We artificially fabricated the…
Suppression of superconductivity in favour of a striped phase, and its coincidence with a structural transition from a low-temperature orthorhombic (LTO) to a low-temperature tetragonal (LTT) phase, is a ubiquitous feature of hole-doped…
Synthesizing metastable phase often opens new functions in materials but is a challenging topic. Thin film techniques have advantages to form materials which do not exist in nature since nonequilibrium processes are frequently utilized. In…
Perovskite oxides hetero-structures are host to a large number of interesting phenomena such as ferroelectricity and 2D-superconductivity. Ferroelectric perovskite oxides have been of significant interest due to their possible use in…
Technical advancement of oxide molecular beam epitaxy (MBE) has opened new avenues for studying various quantum transport phenomena in correlated transition-metal oxides, as exemplified by the exotic superconductivity of Sr$_2$RuO$_4$ and…
At ambient pressure, bulk SrCoO$_{3}$ is a ferromagnetic (FM) metal in cubic perovskite structure. By contrast, magnetic properties of epitaxial SrCoO$_{3}$ thin films, especially at high tensile strain ($\varepsilon \gtrsim 3$\%), remain…
Iron spin transition directly affects properties of lower mantle minerals and can thus alter geophysical and geochemical characteristics of the deep Earth. While the spin transition in ferropericlase has been vigorously established at P ~…