Related papers: Interplay between strain, defect charge state and …
The relationship between charge and structure dictates the properties of electrochemical systems. For example, reversible Na-ion intercalation - a low-cost alternative to Li-ion technology - often induces detrimental structural phase…
We calculate the ground-state energy of Dirac electrons in graphene in the presence of disorder. We take randomly distributed charged impurities at a fixed distance from the graphene sheet and surface fluctuations (ripples) as the main…
The optoelectronic properties induced by oxygen vacancy defects in MgO(111) monolayers have been studied using hybrid level of DFT method. HSE calculations shows significant reduction in electronic band gap of MgO monolayer as a result of…
The Point Defect Model (PDM) describes the corrosion resistance properties of oxide films based on interfacial reactions and defect transport, which are affected by the electric field inside the oxide film. The PDM assumes a constant…
We consider a dynamical generalization of the Eshelby problem: the strain profile due to an inclusion or "defect" in an isotropic elastic medium. We show that the higher the oscillation frequency of the defect, the more localized is the…
The combined effects of defect-defect interaction and of uniaxial or biaxial strains of up to 10\% on the development of magnetic states on the defect-core-localized quasi-one-dimensional electronic states generated by the so-called 558…
We investigate the phase separated inhomogeneous charge and spin states in magnetic oxides. In particular, we study one dimensional harmonic waves and stripe structures. We show that harmonic spin charge waves are unstable and inevitably…
We present evidence of strain-induced modulation of electron correlation effects and increased orbital anisotropy in the rutile phase of epitaxial VO$_2$/TiO$_2$ films from hard x-ray photoelectron spectroscopy and soft V L-edge x-ray…
We use a disordered anti-ferromagnetic spin-1/2 chain with anisotropic exchange coupling to model an array of interacting qubits. All qubits have the same level spacing, except two, which are called the defects of the chain. The level…
We investigate the effect of external stresses on structural and mechanical properties of a strained damaged thin layer by developing a continuum phase-field mesoscale model based on the introduction of an order parameter field, the defect…
Nonequilibrium effects in layered superconductors forming a stack of intrinsic Josephson junctions are investigated. We discuss two basic nonequilibrium effects caused by charge fluctuations on the superconducting layers: a) the shift of…
Late transition-metal oxides with small charge-transfer energy $\Delta$ raise issues for state-of-the-art correlated electronic structure schemes such as the combination of density functional theory (DFT) with dynamical mean-field theory…
Present study reveals that the free energy landscape of the La5/8-yPryCa3/8MnO3 (LPCMO) system could be modified by elastic strain interaction in the epitaxial thin films. Epitaxial LPCMO thin films of various thicknesses are grown on…
Strontium titanate (SrTiO3) is widely used as a promising photocatalyst due to its unique band edge alignment with respect to the oxidation and reduction potential corresponding to oxygen evolution reaction (OER) and hydrogen evolution…
We review the theoretical and experimental results connected with the electron states in two-dimensional Dirac systems paying a special attention to the atomic collapse in graphene. Two-electron bound states of a Coulomb impurity are…
Oxygen packaging in transition metal oxides determines the metal-oxygen hybridization and electronic occupation at metal orbitals. Strontium vanadate (SrVO$_3$), having a single electron in a $3d$ orbital, is thought to be the simplest…
Interplay of superconductivity and density wave orders has been at the forefront of research of correlated electronic phases for a long time. 2H-NbSe$_2$ is considered to be a prototype system for studying this interplay, where the balance…
We investigate the transport properties of three terminal carbon based nanojunctions within the scattering matrix approach. The stability of such junctions is subordinated to the presence of nonhexagonal arrangements in the molecular…
Understanding the physics of structurally and chemically complex transition-metal oxide and polyanionic materials such as those used for battery electrodes is challenging, even at the level of pristine compounds. Yet these materials are…
Photo-excited charge dynamics of interacting charge-frustrated systems are studied using a spinless fermion model on an anisotropic triangular lattice. Real-time evolution of the system after irradiating a pump-photon pulse is analyzed by…