Related papers: Soft phonons and structural phase transition in su…
Density Functional Theory (DFT) calculations show that the reversible Sn/Ge(111) $\sqrt{3}\times\sqrt{3} \leftrightarrow 3\times3$ phase transition can be described in terms of a surface soft phonon. The isovalent Sn/Si(111) case does not…
The lattice dynamics of TiO$_2$ in the rutile crystal structure was studied by a combination of thermal diffuse scattering, inelastic x-ray scattering and density functional perturbation theory. We experimentally confirm the existence of an…
We report our Raman studies of a new lead-free relaxor ferroelectrics, Ba0.85Ca0.15Ti0.9Zr0.1O3 (BCTZO). The Raman modes of BCTZO are compared with those of BaTi0.8Zr0.2O3 (BTZO), and BaTiO3 (BTO). Also, they are compared with the…
Polarized infrared reflectivity spectra of a (110)-oriented TbScO3 single crystal plate were measured down to 10 K. The number of observed polar phonons active along the crystallographic c axis at low temperatures is much higher than…
Two possible phases of superhard material BC3 originating from the cubic diamond structure are investigated by ab initio pseudopotential density functional method using generalized gradient approximation (GGA). We calculate their elastic…
We report a neutron scattering study of a ferroelectric phase transition in Sr$_{0.61}$Ba$_{0.39}$Nb$_2$O$_6$ (SBN-61). The ferroelectric polarization is along the crystallographic $c$-axis but the transverse acoustic branch propagating…
The thermal and electrical transport properties of single-crystalline LaBe$_{13}$ have been investigated by specific-heat ($C$) and electrical-resistivity ($\rho$) measurements. The specific-heat measurements in a wide temperature range…
We report neutron inelastic scattering measurements of the lowest-energy transverse optic (TO) phonon branch in the relaxor Pb(Mg_1/3Nb_2/3)O_3 from 400 to 1100 K. Far above the Burns temperature T_d ~ 620 K we observe well-defined…
By means of a mean-field method, we have studied the zero temperature structure and excitation spectrum of a three-dimensional soft-core bosonic system for a value of the interaction strength that favors a crystal structure made of atomic…
The magnetic susceptibility between 1.5 and 800 K, the infrared reflectivity at room temperature and the temperature dependence of the dielectric constant at mm-wavelengths are reported for single crystalline BiFeO3. A well developed…
We report inelastic light scattering experiments on superconductor Ce0.6Y0.4FeAsO0.8F0.2 from 4K to 300K covering the superconducting transition temperature Tc ~ 48.6K. A strong evidence of the superconductivity induced phonon…
Barium zirconate (BaZrO$_3$) is one of the very few perovskites that is claimed to retain an average cubic structure down to \SI{0}{\K}, while being energetically very close to an antiferrodistortive phase obtained by condensation of a soft…
The dynamic structures of the cubic and tetragonal phase in BaTiO3 and its dielectric response above the cubic-to-tetragonal phase transition temperature (Tp) are studied by first-principles molecular dynamics (MD) simulation. It's shown…
We report on the microwave, terahertz (THz), infrared and Raman spectroscopic studies of $BiMn_{7}O_{12}$ ceramics, shedding more light into the nature of two structural phase transitions and their possible relation with ferroelectricity in…
The superconducting transition temperature (TC) in nanostructured Pb remains nearly constant as the particle size is reduced from 65 to 7nm, below which size the superconductivity is lost rather abruptly. In contrast, there is a large…
Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note, we have investigated the structural transition of…
The tunability of the interlayer coupling by twisting one layer with respect to another layer of two-dimensional materials provides a unique way to manipulate the phonons and related properties. We refer to this engineering of phononic…
Topological insulators are a novel class of quantum materials characterized by protected gapless surface or edge states but insulating bulk states which is due to presence of spin-orbit interactions and time-reversal symmetry. Such an…
Extensive inelastic neutron scattering measurements of phonons on a single crystal of CaFe2As2 allowed us to establish a fairly complete picture of phonon dispersions in the main symmetry directions. The phonon spectra were also calculated…
We report inelastic neutron scattering measurements of the phonon density-of-states in superconducting Sr0.6K0.4Fe2As2 (Tc=30 K) and Ca0.6Na0.4Fe2As2 (Tc=18 K). Compared with the parent compound BaFe2As2 doping affects mainly the lower and…