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1LO optical phonons in free-standing mixed Cd1-xZnxS nanocrystals, synthesized using chemical precipitation, are investigated using Raman spectroscopy. As expected for the nanocrystals, the 1-LO modes are found to appear at slightly lower…

In this paper we report structural and optical properties of Magnesium substituted Zinc Oxide (Zn1-xMgxO) nanocrystals (~10-12nm) synthesized by low temperature route. In the low temperature synthesis route it was possible to reach x = 0.17…

We report synthesis of Cd substituted ZnO nanostructures (Zn1-xCdxO with x upto \approx .09) by high pressure solution growth method. The synthesized nanostructures comprise of nanocrystals that are both particles (~ 10-15 nm) and rods…

The effect of Mg-substitution on the crystal structure of wurtzite ZnO is presented based on synchrotron X-ray diffraction studies of polycrystalline Zn1-xMgxO (0 <= x <= 0.15). Increase in Mg concentration results in pronounced c-axis…

The local structures of Zn$_{1-x}$Mg$_x$O alloys have been studied by Raman spectroscopy and by synchrotron x-ray pair distribution function (PDF) analysis. Within the solid solution range ($0\leq{x}\leq{0.15}$) of Zn$_{1-x}$Mg$_x$O, the…

Local compositions and structures of Zn_{1-x}Mg_{x}O alloys have been investigated by Raman and solid-state {67}Zn/{25}Mg nuclear magnetic resonance (NMR) spectroscopies, and by neutron pair-distribution-function (PDF) analyses. The E2(low)…

The properties of polycrystalline wurtzite Zn_{1-x}Mg_{x}O (0 <= x <= 0.15) have been studied, by powder X-ray diffraction, including an analysis of the X-ray line-broadening, and by luminescence, absorption, and Raman spectroscopies. We…

The structural phase transitions and the fundamental band gaps of Mg(x)Zn(1-x)O alloys are investigated by detailed first-principles calculations in the entire range of Mg concentrations x, applying a multiple-scattering theoretical…

The geometrical structure and photoexcitation properties of Zn27-nCdnO27C42 complexes are investigated by density functional theory (DFT) and time-dependent DFT calculations at the PBE0/6-31G*/SDD level of theory. The cohesive energy and…

The Cd1-xZnxTe semiconductor alloy is a regular system regarding its macroscopic mechanic properties in that its experimental bulk modulus exhibits a linear x-dependence, in line with ab initio predictions. Complexity arises at the bond…

Phonon-polaritons (PP) are phonon-photon coupled modes. Using near-forward Raman scattering, the PP of the cubic Zn(1-x)MgxTe (x<0.09) semiconductor alloy could be measured. While the PP-coupling hardly develops in pure ZnTe, minor…

Alloyed MnxZn1_xPS3 samples have been grown covering the whole compositional range and studied by means of Raman spectroscopy at temperatures covering from 4K up to 850K. Our results, supported by SQUID magnetic measurements, allowed, from…

Using the hybrid exchange-correlation functional within the density-functional theory, we have systematically investigated the structural and electronic properties of MO (M = Be, Mg, Ca, Sr, Ba, Zn, Cd) in binary rocksalt (B1), zincblende…

In terms of lattice dynamics theory, we study the vibrational properties of the oxygen-functionalized single wall carbon nanotubes (O-SWCNs). Due to the C-O and O-O interactions, many degenerate phonon modes are split and even some new…

The possibility of magnetic-order induced phonon anisotropy in single crystals of MnO and NiO is investigated using inelastic neutron scattering. Below Tn both compounds exhibit a splitting in their transverse optical phonon spectra of…

Nanotechnology has already made indelible dents in the fields of communication, computation, electronics, photonics, gas sensors, diagnostic technologies, catalysis, drug delivery systems and imaging. In particular, ZnO nanostructures have…

The present article describes the size induced changes in the structural arrangement of intrinsic defects present in chemically synthesized ZnO nanoparticles of various sizes. Routine X-ray diffraction (XRD) and Transmission Electron…

First-principles density functional theory based calculations have been performed to investigate the strain-induced modifications in the electronic and vibrational properties of monolayer (ML) ZnO. Wide range of in-plane tensile and…

This study explores the relationship between phonon dynamics and negative thermal expansion (NTE) in Cu$_x$Ni$_{2-x}$(CN)$_4$. The partial replacement of nickel (II) by copper (II) in Ni(CN)$_2$ leads to a line phase, CuNi(CN)$_4$ (x = 1),…

The structural and magnetic properties of ultrathin FeO(111) films on Pt(111) with thicknesses from 1 to 16 monolayers (ML) were studied using the nuclear inelastic scattering (NIS) of synchrotron radiation. Distinct evolution of…