Related papers: Isolated modes and percolation in lattice dynamics…
Vibration properties of Zn(1-x)Be(x)Se, a mixed II-VI semiconductor haracterized by a high contrast in elastic properties of its pure constituents, ZnSe and BeSe, are simulated by first-principles calculations of electronic structure,…
We demonstrate how to overcome serious problems in understanding and classification of vibration spectra in semiconductor alloys, following from traditional use of the virtual crystal approximation (VCA). We show that such different systems…
The (Cd, Be)Te semiconductor alloy that exhibits a dramatic mismatch in bond covalency and stiffness clarifying its vibrational and mechanical properties is used as a benchmark to test the limits of the percolation model (PM) worked out to…
The crystal structure of monoclinic semiconductor Cu2SnSe3 is optimized, in a first-principles LDA calculation by Siesta method, to be found in good agreement with available experimental data, on which base zone-center transversal phonon…
The recent finding of a 1-bond->2-phonon `percolation'-type behaviour in several random zincblende alloys, supporting an unsuspected 1-bond->2-mode behaviour in the bond length distribution, renews interest for a discussion of CuPt-type…
We use the 1-bond -> 2-phonon percolation doublet of zincblende alloys as a mesoscope for an unusual insight into their phonon behavior under pressure. We focus on (Zn,Be)Se and show by Raman scattering that the original Be-Se doublet at…
We report on the behavior of Ge-Ge, Ge-Sn, Sn-Sn like and disorder-activated vibrational modes in GeSn semiconductors investigated using Raman scattering spectroscopy. By using an excitation wavelength close to E1 gap, all modes are clearly…
Percolation phenomena are investigated and discussed in three kinds of nanostructures: first two are nanocrystalline silicon-based systems, Si nanodots embedded in amorphous SiO2 matrix and porous silicon formed by an oxidized nanowire…
The vibrational spectra of CdSe/CdS superlattices (SLs) with different layer thicknesses are calculated from first principles within the density functional theory. It is shown that, along with folded acoustic and confined optical modes, a…
Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…
The generic 1-bond:2-mode percolation type Raman signal inherent to the short bond of common (A,B)C semiconductor mixed crystals with zincblende (cubic) structure is exploited as a sensitive mesoscope to explore how various ZnSe-based…
Near-forward Raman scattering combined with ab initio phonon and bond length calculations is used to study the phonon-polariton transverse optical modes (with mixed electrical and mechanical character) of the II-VI ZnSeS mixed crystal under…
Ge/Si(001) multilayer heterostructures containing arrays of low-temperature self-assembled Ge quantum dots and very thin Si$_x$Ge$_{1-x}$ layers of varying composition and complex geometry have been studied using Raman spectroscopy and…
A simple and accurate method of calculating phonon spectra in mixed semiconductors alloys, on the basis of preliminarily (from first principles) relaxed atomic structure, is proposed and tested for (Zn,Be)Se and (Ga,In)As solid solutions.…
Inelastic neutron scattering measurements on the hexagonal Zn67Mg33S semiconductor alloy reveal a bimodal pattern of the optical modes across the Brillouin zone, confirmed by first-principles simulations. Such modes are sensitive to the…
The intermolecular lattice vibrations in small-molecule organic semiconductors have a strong impact on their functional properties. Existing models treat the lattice vibrations within the harmonic approximation. In this work, we use…
We present vibrational properties of Franckeite, which is a naturally occurring van der Waals heterostructure consisting of two different semiconducting layers. Franckeite is a complex layered crystal composed of alternating SnS$_2$ like…
In this article we employ density functional theory in the generalized gradient approximation to investigate the structural and electronic properties of the solid solution alloy $\text{Zn}\text{Se}_x\text{S}_{1-x}$ in the wurtzite…
Structural investigations on the K0.8Fe1.6+xSe2 superconducting materials have revealed remarkable micro-stripes arising evidently from the phase separation. Two coexisted structural phases can be characterized by modulations of q1 =…
We report scanning tunnelling microscopy and spectroscopy (STM/STS) studies on one and two unit cell (UC) high FeSe thin films grown on Bi$_2$Se$_3$(0001). In our thin films, we find the tetragonal phase of FeSe and dumb-bell shaped defects…