Related papers: Achieving fast oxygen diffusion in perovskites by …
Transition metal oxides are promising candidates for thermoelectric applications, because they are stable at high temperature and because strong electronic correlations can generate large Seebeck coefficients, but their thermoelectric power…
Reversible topotactic transitions between oxygen-vacancy-ordered structures in transition metal oxides provide a promising strategy for active manipulation of material properties. While transformations between various oxygen-deficient…
We introduce an effective model for $e_g$ electrons to describe three-dimensional perovskite (La$_{1-x}$Sr$_{x}$MnO$_3$ and La$_{1-x}$Ca$_{x}$MnO$_3$) manganites and study the magnetic and orbital order on $4\times 4\times 4$ cluster using…
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…
Low-temperature spin dynamics of the double-layered perovskite La_2-2x_Sr_1+2x_Mn_2_O_7 (LSMO327) was systematically studied in a wide hole concentration range (0.3 <= x < 0.5). The spin-wave dispersion, which is almost perfectly 2D, has…
A model consisting of oxygen-occupied and -vacant chains is considered, with repulsive first and second nearest-neighbor interactions V1 and V2, respectively. The statistical mechanics and the diffraction spectrum of the model is solved…
The development of Ruddlesden-Popper (RP) oxides as oxygen exchange and transport materials will benefit from mechanistic understanding of how oxygen transports through these materials. Using Density Functional Theory, we found there are…
The structural tunability and compositional diversity of multicomponent perovskite oxides have enabled their various applications, including catalysis and electronics. The cation ordering in these oxides, ranging from disordered (i.e.,…
Ferroelectrics show a phase transition to a paraelectric phase at a well-defined transition temperature. Introducing disorder makes this transition diffuse, and the system becomes a relaxor. Since the degree of (dis-)order is usually…
Improved thermomechanical properties have been reported for various high-entropy oxides containing typically five metal cations. This study further investigates a series of duodenary (11 metals + oxygen) high-entropy oxides by mixing…
Perovskite oxynitrides have recently attracted attention for their ability to photocatalytically split water. Compared to oxides the arrangement of anions in the material represents a further structural degree of freedom. The bulk…
We use resonant and non-resonant X-ray diffraction measurements in combination with first-principles electronic structure calculations and Monte Carlo simulations to study the relationship between crystal structure and multiferroic orders…
The hexagonal perovskite BaNiO3, prepared via non-ceramic approaches, is known to act as a good catalyst for the oxygen-evolution reaction (OER) in alkaline media. Here we report our observation that BaNiO3 synthesized via KOH flux growth…
A quite unusual diffuse scattering phenomenology was observed in the single-crystal X-ray diffraction pattern of cubic perovskite BMT ($\mathrm{BaMg}_{1/3}\mathrm{Ta}_{2/3}\mathrm{O}_3$). The intensity of the scattering is parametrized as a…
In the series of 3d1 t2g perovskites, SrVO3--CaVO3--LaTiO3--YTiO3 the transition-metal d electron becomes increasingly localized and undergoes a Mott transition between CaVO3 and LaTiO3. By defining a low-energy Hubbard Hamiltonian in the…
Diffuse scattering around the (110) reciprocal lattice point has been investigated by elastic neutron scattering in the paraelectric and the relaxor phases of the disordered complex perovskite crystal-Pb(Zn1/3Nb2/3)O3(PZN). The appearance…
Double perovskites of the form A_2BB'O_6 usually involve a transition metal ion, B, with a large magnetic moment, and a non magnetic ion B'. While many double perovskites are ferromagnetic, studies on the underlying model reveal the…
Transition metal oxides, in particular, 3d or 4d perovskites have provided diverse emergent physics that originates from the coupling of various degrees of freedom such as spin, lattice, charge, orbital, and also disorder. 5d perovskites…
The double perovskite \bnoo with heptavalent Os ($d^1$) is observed to remain in the ideal cubic structure ({\it i.e.} without orbital ordering) despite single occupation of the $t_{2g}$ orbitals, even in the ferromagnetically ordered phase…
We introduce an electrostatic model including charge transfer, which is shown to account for the observed B-site ordering in Pb-based perovskite alloys. The model allows charge transfer between A-sites and is a generalization of Bellaiche…