Related papers: Stability of wurtzite semi-polar surfaces: algorit…
We investigate the surface electronic structures of polar 1T'-MoTe2, the Weyl semimetal candidate realized through the nonpolar-polar structural phase transition, by utilizing the laser angle-resolved photoemission spectroscopy (ARPES)…
Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this…
We have found the precise stability region of the half quantum vortex (HQV) for superfluid $^3$He A phase confined in parallel plates with a narrow gap under rotation. Standard Ginzburg-Landau free energy, which is well established, is…
We study the accuracy of several alternative semiclassical methods by computing analytically the energy levels for many large classes of exactly solvable shape invariant potentials. For these potentials, the ground state energies computed…
Using Landau-Ginzburg-Devonshire approach we calculated the equilibrium distributions of electric field, polarization and space charge in the ferroelectric-semiconductor heterostructures containing proper or incipient ferroelectric thin…
The accurate control of the crystal phase in III-V semiconductor nanowires (NWs) is an important milestone for device applications. In this work, we present a method to select and maintain the wurtzite (WZ) crystal phase in self-assisted…
A new scheme for producing semidiscrete self-trapped vortices (\textquotedblleft swirling photon droplets\textquotedblright ) in photonic crystals with competing quadratic ($\chi ^{(2)}$) and self-defocusing cubic ($\chi ^{(3)}$)…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
Higher-order WKB methods are used to investigate the border between the solvable and insolvable portions of the spectrum of quasi-exactly solvable quantum-mechanical potentials. The analysis reveals scaling and factorization properties that…
The thermodynamics properties of the wurtzite and zinc-blende \InGaN alloys are calculated using first-principles density-functional calculations. Special quasi-random structures are used to describe the disordered alloys, for $x= 1/4,…
In present work we calculated the three components of polarization in phenomenological theory framework by consideration of three Euler-Lagrange equations, which include mismatch effect and influence of misfit dislocations, surface…
Surface energetics of zinc sulfide nanoparticles determines their structure, properties, and occurrence. Using a combination of experimental techniques, we investigated the thermodynamics of the two polymorphs, sphalerite and wurtzite at…
We report ab initio investigations of hexagon-shaped, [111]/[0001] oriented III-V semiconductor nanowires with varying crystal structure, surface passivation, surface orientation, and diameter. Their stability is dominated by the free…
The planar hexagonal phase of ZnO, known as h-ZnO, g-ZnO, {\alpha}-ZnO, the Bk structure, the 5-5 phase, the {\alpha}-BN phase, etc., has P63/mmc symmetry and is implicated in ferroelectric switching mechanisms for wurtzite-ZnO. It is…
The quantum dynamics of an electron in a uniform magnetic field is studied for geometries corresponding to integrable cases. We obtain the uniform asymptotic approximation of the WKB energies and wavefunctions for the semi-infinite plane…
Density-functional calculations are used to study various plausible structures of the wurtzite InN $(0001)$ and $(000{\bar 1})$ surfaces. These structures include the unreconstructed surfaces, surfaces with monolayers of In or N, several…
Half-Heusler phases have gained recently much interest as thermoelectric materials. Screening of possible systems was performed by ab-initio simulation using VASP-software. The energy-versus-Volume (E(V)) curves were calculated and…
We explore the growth of {\alpha}-Ta thin films ranging from ultra-thin (2 nm) to thick (250 nm) films grown by sputter epitaxy on c-plane sapphire substrates. We utilized 100 W power with a 32 mTorr sputter pressure at 650 {\deg} substrate…
We study the geometry of a semiflexible polymer at finite temperatures. The writhe can be calculated from the properties of Gaussian random walks on the sphere. We calculate static and dynamic writhe correlation functions. The writhe of a…
A first-principles approach is demonstrated to calculate the relationship between aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based…