Related papers: Strain engineering of ion migration in LiCoO2

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…

We explore the electrical transport and magneto-conductance in quasi two-dimensional strongly correlated ultrathin films of LaNiO$_{3}$ (LNO) to investigate the effect of hetero-epitaxial strain on electron-electron and electron-lattice…

The growth of a U3O7 oxide layer during the anionic oxidation of UO2 pellets induced very important mechanical stresses due to the crystallographic lattice parameters differences between UO2 and its oxide. These stresses, combined with the…

We report on the use of helium ion implantation to independently control the out-of-plane lattice constant in epitaxial La0.7Sr0.3MnO3 thin films without changing the in-plane lattice constants. The process is reversible by a vacuum anneal.…

Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the…

Highly efficient oxygen active materials that react with, absorb, and transport oxygen is essential for fuel cells, electrolyzers and related applications. While vacancy mediated oxygen ion conductors have long been the focus of research,…

Several numerical studies have shown that the electronic properties of twisted bilayers of graphene (TBLG) and transition metal dichalcogenides (TMDs) are tunable by strain engineering of the stacking layers. In particular, the flatness of…

Transparent oxide materials, such as $CuAlO_{2}$, a p-type transparent conducting oxide (TCO), have recently been studied for high temperature thermoelectric power generators and coolers for waste heat. TCO materials are generally low cost…

Elastic constant C_{11} and piezoelectric stress constant e_{1,11} of two-dimensional (2D) dielectric materials comprising h-BN, 2H MoS2 and other transition metal dichalcogenides (TMDCs) and -dioxides (TMDOs) are calculated using lattice…

We have investigated the effects of low-energy ion beam irradiations using argon clusters on the chemical and electronic properties of LaAlO3/SrTiO3 (LAO/STO) heterointerfaces by combining X-ray photoelectron spectroscopy (XPS) and…

The intrinsic spin Hall conductivity of a two-dimensional gas confined to SrTiO$_3$, such as occurs at an LaAlO$_3$/SrTiO$_3$ interface, is calculated from the Kubo formula. The effect of strain in the [001] (normal to the quantum well…

Lithium-intercalated layered transition-metal oxides, LixTMO2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a type of device for future neural computing and on-chip…

We present a theoretical study of the effects of heterostrain and lattice relaxation on the optical conductivity of twisted bilayer graphene near the magic angle, based on the band structures obtained from a continuum model. We find that…

The mechanisms and efficiency of charge transport in lithium peroxide (Li2O2) are key factors in understanding the performance of non-aqueous Li-air batteries. Towards revealing these mechanisms, here we use first-principles calculations to…

Kagome lattice bilayers offer unique opportunities for engineering electronic properties through interlayer stacking and strain. We report a comprehensive first-principles study of Pd$_3$O$_2$Cl$_2$ kagome bilayers, examining four stacking…

Strain engineering is an effective tool for tailoring the properties of two-dimensional (2D) materials, especially for tuning quantum phenomena. Among the limited methods available for strain engineering under cryogenic conditions, thermal…

Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key representative example is titania, which forms as a…

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…

As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…

Regulation of electronic structure and mobility cut-on rate in two-dimensional transition metal dichalcogenides (TMDs) has attracted much attention because of its potential in electronic device design. The anisotropic Raman scattering and…