Related papers: Surface properties of atomically flat poly-crystal…
The surface reconstruction of SrTiO$_3$(110) is studied with scanning tunneling microscopy and density functional theory (DFT) calculations. The reversible phase transition between (4$\times$1) and (5$\times$1) is controlled by adjusting…
We have calculated the properties of SrTiO3 (STO) using a wide array of density functionals ranging from standard semi-local functionals to modern range-separated hybrids, combined with several basis sets of varying size/quality. We show…
Nb-doped SrTiO$_{3}$ epitaxial thin films have been prepared on (001) SrTiO$_{3}$ substrates using pulsed laser deposition. A high substrate temperature ($>1000^{\circ}{C}$) was found to be necessary to achieve 2-dimensional growth. Atomic…
The recent emergence of topological insulators (TI) has spurred intensive efforts to grow TI thin films on various substrates. However, little is known about how robust the topological surface states (TSS) are against disorders and other…
We demonstrate that zero-field $\beta$-detected nuclear quadrupole resonance and spin relaxation of low energy $^8$Li can be used as a sensitive local probe of structural phase transitions near a surface. We find that the transition near…
Proximity to phase transitions (PTs) is frequently responsible for the largest dielectric susceptibilities in ferroelectrics. The impracticality of using temperature as a control parameter to reach those large responses has motivated the…
SrTiO$_{3}$ (STO) epitaxial thin films and heterostructures are of considerable interest due to the wide range of functionalities they exhibit. The alloy perovskite (LaAlO$_{3}$)$_{0.3}$-(Sr$_{2}$AlTaO$_{6}$)$_{0.7}$ (LSAT) is commonly used…
Functional properties of nanomaterials strongly depend on their surface atomic structure, but they often become largely different from their bulk structure, exhibiting surface reconstructions and relaxations. However, most of the surface…
We have investigated ten standard single crystal substrates of complex oxides on the account of their applicability in the Raman spectroscopy based thin film research. In this study we suggest a spectra normalization procedure that utilizes…
The sequence of ground states for SrTiO3 film subjected to epitaxial strain as well as to mechanical stress along the [001] and [110] axes is calculated from first principles within the density functional theory. Under the fixed-strain…
The structure and interface characteristics of (LaVO3)6m(SrVO3)m superlattices deposited on (100)-SrTiO3 (STO) substrate were studied using Transmission Electron Microscopy (TEM). Cross-section TEM studies revealed that both LaVO3 (LVO) and…
Structural disorder causes materials surface electronic properties, e.g. work function ($\phi$) to vary spatially, yet it is challenging to prove exact causal relationships to underlying ensemble disorder, e.g. roughness or granularity. For…
The cubic perovsike strontium titanate SrTiO$_3$ (STO) is one of the most studied, polarizable transition metal oxides. When excess charge is introduced to this material, e.g., through doping or atomic defects, STO tends to host polarons:…
A structural transition in an ABO$_{3}$ perovskite thin film involving the change of the BO$_{6}$ octahedral rotation pattern can be hidden under the global lattice symmetry imposed by the substrate and often easily overlooked. We carried…
The phases in the ZnO half of the ZnO-In2O3 binary system are natural superlattices consisting of periodic stacking of single InO2 sheets separated by indium doped ZnO blocks with a spacing that depends on the composition according to the…
Observation of replica bands in the ARPES spectra of the single-layer FeSe on strontium titanate substrate revealed a phonon component among mechanisms behind high Tc superconductivity there. We study the interaction of the in-layer FeSe…
The quantum Hall conductance in monolayer graphene on an epitaxial SrTiO3 (STO) thin film is studied to understand the role of oxygen vacancies in determining the dielectric properties of STO. As the gate voltage sweep range is gradually…
Epitaxially grown SrTiO$_{3}$ (STO) thin films are material enablers for a number of critical energy-conversion and information-storage technologies like electrochemical electrode coatings, solid oxide fuel cells and random access memories.…
The metal-insulator transition (MIT) observed in vanadium dioxide (VO2) has been a topic of great research interest for past decades, with the underlying physics yet not fully understood due to the complex electron interactions and…
We present self-consistent ab-initio total-energy and electronic-structure calculations on stoichiometric and non-stoichiometric TiO2 (110) surfaces. Scanning tunneling microscopy (STM) topographs are simulated by calculating the local…