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Asymptotic formulae for the mechanical and electric fields in a piezoelectric body with a small void are derived and justified. Such results are new and useful for applications in the field of design of smart materials. In this way the…
The optical and electronic properties of Mg-Ti hydrides are studied using first-principles density functional theory. Dielectric functions are calculated for MgxTi(1-x)H2 with compositions x = 0.5, 0.75, and 0.875. The structure is that of…
Topological insulators (TIs) present a neoteric class of materials, which support delocalised, conducting surface states despite an insulating bulk. Due to their intriguing electronic properties, their optical properties have received…
Asymmetric electrical conductance is theoretically demonstrated on the surface of a topological insulator (TI) in the limit of infinitesimally small forward and reverse biases between two spin selective electrodes. The discontinuous…
Three-dimensional (3D) topological insulators (TIs) are candidate materials for various electronic and spintronic devices due to their strong spin-orbit coupling and unique surface electronic structure. Rapid, low-cost preparation of…
Optical-absorption cross-sections and energy-loss spectra of aligned multishell carbon nanotubes are investigated, on the basis of photonic band-structure calculations. A local graphite-like dielectric tensor is assigned to every point of…
The complex dielectric functions of LiNbO$_2$ were determined using optical transmittance and reflectance spectroscopies at room temperature. The measured dielectric function spectra reveal distinct structures at several bandgap energies.…
We use an atomistic approach to study the electronic properties of monolayer and bilayer black phosphorus in the vicinity of a charged defect. In particular, we combine screened defect potentials obtained from first-principles linear…
The ability to precisely control the electronic coupling/decoupling of adsorbates from surfaces is an essential goal. It isimportant for fundamental studies not only in surface science but alsoin several applied domains including, for…
Topological insulators in the Bi2Se3 family have an energy gap in the bulk and a gapless surface state consisting of a single Dirac cone. Low frequency optical absorption due to the surface state is universally determined by the fine…
Several small-bandgap semiconductors are now known to have protected metallic surface states as a consequence of the topology of the bulk electron wavefunctions. The known "topological insulators" with this behavior include the important…
The topology of pure Bi is controversial because of its very small ($\sim$10 meV) band gap. Here we perform high-resolution angle-resolved photoelectron spectroscopy measurements systematically on 14$-$202 bilayers Bi films. Using…
We theoretically study the electronic structure and spin properties of one-dimensional nanostructures of the prototypical bulk topological insulator Bi$_2$Se$_3$. Realistic models of experimentally observed Bi$_2$Se$_3$ nanowires and…
The surface structure of the prototypical topological insulator Bi2Se3 is determined by low-energy electron diffraction and surface X-ray diffraction at room temperature. Both approaches show that the crystal is terminated by an intact…
Advances in hybrid organic/inorganic architectures for optoelectronics can be achieved by understanding how the atomic and electronic degrees of freedom cooperate or compete to yield the desired functional properties. Here we show how…
Topological insulators (TIs) in three space dimensions can be characterized by a quantized magnetoelectric coefficient. However, this coupling does not have experimentally observable consequences in the presence of time-reversal symmetry,…
The electronic properties of quasi-one-dimensional anatase TiO2 nanostructures, in the form of thin nanowires having (101) and (001) facets, have been systematically investigated using the standard, hybrid density functional and…
The search for large band gap systems with dissipationless edge states is essential to developing materials that function under a wide range of temperatures. Two-dimensional (2D) topological insulators (TIs) have recently attracted…
Topological insulator (TI) represents an unconventional quantum phase of matter with insulating bulk bandgap and metallic surface states. Recent theoretical calculations and photoemission spectroscopy measurements show that Group V-VI…
The research of two-dimensional (2D) materials with atomic-scale thicknesses and unique optical properties has become a frontier in photonics and electronics. Borophene, a newly reported 2D material provides a novel building block for…