相关论文: Electrostatic stability of insulating surfaces: Th…
The (001)SrTiO3 crystal surface can be engineered to display a self-organized pattern of well-separated and nearly pure single-terminated SrO and TiO2 regions by high temperature annealing in oxidizing atmosphere. By using surface sensitive…
An extensive theoretical investigation of the nonpolar (10$\bar{1}$0) and (11$\bar{2}$0) surfaces as well as the polar zinc terminated (0001)--Zn and oxygen terminated (000$\bar{1}$)--O surfaces of ZnO is presented. Particular attention is…
The Mott insulator LaVO$_3$ is known to become metallic if La is replaced by small concentrations of Ca. Since surface quasi-particle spectra of various perovskites are more strongly correlated than their bulk spectra, the coexistence of a…
We investigate the electronic structure at the surface of the correlated oxide Ca$_3$Ru$_2$O$_7$, a low-symmetry ruthenate oxide which hosts an unconventional polar-metal phase. From a combination of angle-resolved photoemission…
The orbital motion of electrons in a three-dimensional solid can generate a pseudoscalar magnetoelectric coupling $\theta$, a fact we derive for the single-particle case using a recent theory of polarization in weakly inhomogeneous…
The thermodynamical model of viscoelastic deformable solids at finite strains with Kelvin-Voigt rheology with a higher-order viscosity (using the concept of multipolar materials) is formulated in a fully Eulerian way in rates. Assumptions…
We have carried out first-principles simulations, based on density functional theory, to obtain the atomic and electronic structure of (001) BaTiO$_{3}$/KNbO$_{3}$ interfaces in an isolated slab geometry. We tried different types of…
We describe a three-dimensional crystalline topological insulator (TI) phase of matter that exhibits spontaneous polarization. This polarization results from the presence of (approximately) flat bands on the surface of such TIs. These flat…
We performed a comprehensive angle-resolved photoemission spectroscopy study of the electronic band structure of LaOFeAs single crystals. We found that samples cleaved at low temperature show an unstable and highly complicated band…
We performed high-resolution spin- and angle-resolved photoemission spectroscopy studies of the electronic structure and the spin texture on the surface of Bi$_2$Se$_3$, a model topological insulator. By tuning the photon energy, we found…
The issue of the net charge at insulating oxide interfaces is shortly reviewed with the ambition of dispelling myths of such charges being affected by covalency and related charge density effects. For electrostatic analysis purposes, the…
We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…
Gapless surface states on topological insulators are protected from elastic scattering on non-magnetic impurities which makes them promising candidates for low-power electronic applications. However, for wide-spread applications, these…
The recent observation of superconductivity at the interfaces between KTaO3 and EuO (or LaAlO3) offers a new example of emergent phenomena at oxide interfaces. This superconductivity exhibits an unusual strong dependence on the crystalline…
Based on the conventional energy band theory, an approach is presented to describe the electronic structure of crystalline insulators in the presence of a finite homogeneous electric field. The expression of polarization is derived which…
Near-critical behavior of the free surface of an ideally conducting liquid in an external electric field is considered. Based on an analysis of three-wave processes using the method of integral estimations, sufficient criteria for hard…
Room temperature ionic liquids are attractive to numerous applications and particularly, to renewable energy devices. As solvent free electrolytes, they demonstrate a paramount connection between the material morphology and Coulombic…
The surface termination of (100)-oriented LaAlO3 (LAO) single crystals was examined by atomic force microscopy and optimized to produce a single-terminated atomically flat surface by annealing. Then the atomically flat STO film was achieved…
Using density-functional calculations we study the structure and polarization response of tetragonal PbTiO3, BaTiO3 and SrTiO3 in a strain regime that is previously overlooked. Different from common expectations, we find that the…
The spontaneous polarization of epitaxial BaTiO$_3$/SrTiO$_3$ superlattices is studied as a function of composition using first-principles density functional theory within the local density approximation. With the in-plane lattice parameter…