相关论文: Strain-induced heteronuclear charge disproportiona…

We show that in mixed-valence 3d transition metal oxides undergoing a structural transition, the low temperature phase results from an effective ordering of the charge. This arrangement and the quantitative evaluation of the atomic charges…

We use first-principles calculations to investigate the interplay between strain and the charge state of point defect impurities in complex oxides. Our work is motivated by recent interest in using defects as active elements to provide…

In oxide heterostructures, different materials are integrated into a single artificial crystal, resulting in a breaking of inversion-symmetry across the heterointerfaces. A notable example is the interface between polar and non-polar…

The Fe-Cu intersite charge transfer and Fe charge disproportionation are interesting phenomena observed in some LnCu3Fe4O12 (Ln: Lanthanides) compounds containing light and heavy Ln atoms, respectively. We show that a change in the spin…

Investigation of the electronic and spin structure in double perovskites is recently attracting significant attention, mainly driven by their unique multifunctional properties and other underlying charge and spin dynamics. Herein, using…

Interfaces in oxide heterostructures always provide a fertile ground for emergent properties. Charge transfer from a high energy band to a low energy opponent is naturally expected, as occurring in semiconductor $p$-$n$ junctions. In this…

We explore, through a combination of x-ray diffraction and elastoresistivity measurements, the effect of disorder on the strain-tuned charge density wave and associated multicriticality in Pd$_x$ErTe$_3$ (x = 0, 0.01, 0.02 and 0.026). We…

The results of 13C NMR spectra and nuclear spin-lattice relaxation rate 1/T_1 for the quasi-one-dimensional quarter-filled organic material (TMTTF)2SCN are presented. A new inhomogeneous line appears below the anion ordering temperature…

In this manuscript, recent theoretical investigations by the authors in the area of oxide multilayers are briefly reviewed. The calculations were carried out using model Hamiltonians and a variety of non-perturbative techniques. Moreover,…

We use density functional theory plus dynamical mean-field theory to demonstrate the emergence of a metallic layer at the interface between the two Mott insulators LaTiO$_3$ and LaVO$_3$. The metallic layer is due to charge transfer across…

An existence of the charge-induced instability is well known for the 4He crystal surface in the rough state. Much less is known about charge-induced instability at the 4He crystal surface in the smooth well-faceted state below the…

The functional properties of transition metal perovskite oxides are known to result from a complex interplay of magnetism, polarization, strain, and stoichiometry. Here, we show that for materials with a cooperative Jahn-Teller distortion,…

Selective optical excitation of a substrate lattice can drive phase changes across hetero-interfaces. This phenomenon is a non-equilibrium analogue of static strain control in heterostructures and may lead to new applications in optically…

By means of ab initio calculations, we study the effect of charge transfer and symmetry mismatch on the magnetic and electronic properties of CaMnO$_3$ ultrathin films, epitaxially grown on SrTiO$_3$ (001). We find that the interplay of…

The interaction of coexisting structural instabilities in multiferroic materials gives rise to intriguing coupling phenomena and extraordinarily rich phase diagrams, both in bulk materials and strained thin films. Here we investigate the…

We report a detailed high-resolution powder neutron diffraction investigation of the structural behaviour of the multiferroic hexagonal polymorph of YMnO3 between room temperature and 1403 K. The study was aimed at resolving previous…

We present a comprehensive ellipsometric study of an untwinned, nearly stoichiometric LaMnO_3 crystal in the spectral range 1.2-6.0 eV at temperatures 20 K < T < 300 K. The complex dielectric response along the b and c axes of the Pbnm…

We present transport and specific heat measurements on high quality single crystals of UPt$_3$ before and after irradiation by high energy electrons. We observe a strong dependence of the critical temperature with the sample thickness. The…

Motivated by the colossal negative thermal expansion recently found in BiNiO$_3$, the valence transition accompanied by the charge transfer between the Bi and Ni sites is theoretically studied. We introduce an effective model for Bi-$6s$…

The chiral magneto-electric compound Ni3TeO6 is investigated through temperature-dependent synchrotron-based powder x-ray diffraction and x-ray absorption spectroscopy between 15 to 300 K. Our work provides direct evidence for the…