Related papers: Strain-induced Defect Superstructure on the SrTiO3…
Strain engineering with different substrate facets is promising for tuning functional properties of thin film perovskite oxides. By choice of facet, different surface symmetries and chemical bond directions for epitaxial interfaces can be…
Perovskite oxides attract increasing attention due to their broad potential in many applications. Understanding their surfaces is challenging, though, because the ternary composition of the bulk allows for multiple stable surface…
The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approximation. Motivated by recent experiments, the structure,…
Interfaces at the two-dimensional limit in oxide materials exhibit a rich span of functionality that differs significantly from the bulk behavior. Among such interfaces, domain walls in ferroelectrics draw special attention because they can…
When two or more atoms bind to a solid surface, the substrate can mediate an interaction between them. In this paper, we use density-functional theory to quantify the substrate-mediated pair interaction between two adatoms on a…
We present an in-depth analysis of the atomic and electronic structure of the quasi one-dimensional (1D) surface reconstruction of Ga on Si(112) based on Scanning Tunneling Microscopy and Spectroscopy (STM and STS), Rutherford…
Defect engineering is an effective and powerful tool to control existing material properties and create completely new ones, which are symmetry-forbidden in a defect-free crystal. This letter reports on the creation of piezoelectrically…
We have studied the segregation of P and B impurities during oxidation of the Si(100) surface by means of combined static and dynamical first-principles simulations based on density functional theory. In the bare surface, dopants segregate…
In newly discovered topological crystalline insulators (TCIs), the unique crystalline protection of the surface state (SS) band structure has led to a series of intriguing predictions of strain generated phenomena, from the appearance of…
SrTiO$_3$ is a superconducting semiconductor with a pairing mechanism that is not well understood. SrTiO$_3$ undergoes a ferroelastic transition at $T=$ 105 K, leading to the formation of domains with boundaries that can couple to…
Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements performed on the two-dimensional electronic states confined near the (001) surface of SrTiO$_3$ in the presence of oxygen vacancies, we explore their spin…
The heterogeneous coexistence of antiferromagnetism (SDW) and superconductivity on a mesoscopic scale was observed in iron-pnictides in many recent experiments. We suggest and discuss the scenario in which the heterogeneity is caused by…
Interlayer coupling effects between high mobility two-dimensional superconductors are studied in bilayer delta-doped SrTiO3 heterostructures. By tuning the undoped SrTiO3 spacer layer between the dopant planes, clear tunable coupling is…
Dislocations in perovskite oxides have important impacts on their physical and chemical properties, which are determined by their unique atomic environments. In the present study, the structure of dislocations in a 10{\deg} low-angle grain…
Silicene, a counterpart of graphene, has achieved rapid development due to its exotic electronic properties and excellent compatibility with the mature silicon-based semiconductor technology. Its low room-temperature mobility of about 100…
Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic Fe$_2$O$_3$-FeTiO$_3$ solid solutions and heterostructures.…
The local structural distortions in polydomain ferroelectric PbTiO3/SrTiO3 superlattices are investigated by means of high spatial and energy resolution electron energy loss spectroscopy combined with high angle annular dark field imaging.…
In two-dimensional nearly commensurate heterostructures, strain plays a critical role in shaping electronic behavior. While previous studies have focused on random strain introduced during fabrication, achieving controlled structural design…
The topographic and electronic structure of cleaved SrTiO3(001) surfaces were studied, employing samples that either had or had not been coated with Ti on their outer surfaces prior to fracture. In both cases, SrO- and TiO2-terminated…
The origin of the $3 \times 1$ reconstruction observed in epitaxial LaCoO$_{3}$ films on SrTiO$_3(001)$ is assessed by using first-principles calculations including a Coulomb repulsion term. We compile a phase diagram as a function of the…