Related papers: Orbital dimerization-induced first-order structura…

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…

Inspired by recent experimental observations of hybrid topological states [Hossain et al. Nature 628, 527 (2024)], we predict hybrid-order topological insulators in 1H transition metal compounds (TMCs), where both second-order and…

The recent discovery of superconductivity under pressure in Ruddlesden-Popper (RP) nickelates has attracted a great deal of attention. Here, using charge-self consistent density-functional theory plus dynamical mean-field theory, we study…

We investigate the effect of dipolar interactions in one-dimensional systems in connection with the possibility of observing exotic many-body effects with trapped atomic and molecular dipolar gases. By combining analytical and numerical…

Using the local density approximation and its combination with dynamical mean-field theory, we show that electronic correlations induce a single-sheet, cuprate-like Fermi surface for hole-doped 1/1 LaNiO3 /LaAlO3 heterostructures, even…

First-order phase transitions, characterized by a discontinuous change in the order parameter, are intriguing phenomena in condensed matter physics. However, the underlying, material-specific, microscopic mechanisms often remain unclear.…

High-temperature superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure has attracted significant interest in condensed matter physics. While early samples exhibited limited superconducting volume fractions, Pr substitution…

The classification of structural phase transitions as displacive or order-disorder in character is usually based on spectroscopic data above the transition. We use single crystal x-ray diffraction to investigate structural correlations in…

Using Monte Carlo simulations, we study thermal and critical properties of two systems, in which domain walls and so-called $Z_2$-vortices as topological defects are presented. The main model is a lattice version of the $O(3)$ principal…

Jahn--Teller (JT) distortions are a key driver of physical properties in many correlated oxide materials. Cooperative JT distortions, in which long-range orbital order reduces the symmetry of the average structure macroscopically, are…

Soft x-ray resonant scattering at the Ni L2,3 edges is used to test models of magnetic and orbital-ordering below the metal-insulator transition in NdNiO3. The large branching ratio of the L3 to L2 intensities of the (1/2,0,1/2) reflection…

Several spin systems with low dimensionality develop a spin-dimer phase within a molecular orbital below TS, competing with long-range antiferromagnetic order. Very often, preferential orbital occupancy and ordering are the actual driving…

We explore the optical properties of La3Ni2O7 bilayer nickelates by using density functional theory including a Coulomb repulsion term. Convincing agreement with recent experimental ambient-pressure spectra is achieved for U=3eV, which…

It has been suggested that the metal-insulator transitions in a number of spinel materials with partially-filled t_2g d-orbitals can be explained as orbitally-driven Peierls instabilities. Motivated by these suggestions, we examine…

We report the results of $^{7}$Li nuclear magnetic resonance (NMR) studies of LiVGe$_{2}$O$_{6}$, a quasi one--dimensional spin $S = 1$ model system, at low temperatures. Our data, including NMR spectra and the temperature dependence of the…

We present results of high-resolution thermal-expansion and specific-heat measurements on single crystalline alpha'-NaV2O5. We find clear evidence for two almost degenerate phase transitions associated with the formation of the dimerized…

We study spontaneous dimerization transitions in a Heisenberg spin-1 chain with additional next-nearest neighbor (NNN) and 3-site interactions using extensive numerical simulations and a conformal field theory analysis. We show that the…

Although discovery in hydrogen induced electronic transition within perovskite family of rare-earth nickelate (ReNiO3) opens up a new paradigm in exploring both the new materials functionality and device applications, the existing research…

Electronic structure calculations were carried out on the compound GdBaCo$_2$O$_{5.5}$. The electronic structure variation with a change in the spin state of the Co$^{3+}$ ion in an octahedral environment has been studied. All the…

Employing inelastic X-ray scattering and neutron scattering techniques, we observed nematic and magnetic phase transitions with distinct characters in K$_{5}$Fe$_{4}$Ag$_{6}$Te$_{10}$. Upon cooling, the nematic order undergoes a strongly…