Related papers: Phonon anharmonicity in Cu-based layered thiophosp…
We report on TmMnO3 far infrared emissivity and reflectivity spectra from 1910 K to 4 K. At the highest temperature the number of infrared bands is lower than that predicted for centrosymmetric P63/mmc (D6h4) (Z=2) space group due high…
We report Raman spectra measurements on a MoS2 monolayer supported on SiO2 as a function of temperature. Unlike in previous studies, the positions of the two main Raman modes, E2g1 and A1g exhibited nonlinear temperature dependence.…
We present Raman measurements on the iron-pnictide superconductors CeFeAsO_{1-x}F_{x} and NdFeAsO{1-x}F_{x}. Modeling the Fe-As plane in terms of harmonic and a cubic anharmonic Fe-As interaction we calculate the temperature dependence of…
The quasi-one-dimensional material Bi4I4 hosts two crystallographically similar polymorphs that realize distinct topological insulating phases separated by a first-order structural transition near room temperature. This transition occurs…
We present a Raman study of ZrAs_{2} single crystals, a nodal line semimetal with symmetry-enforced Dirac-like band crossings. We identified the symmetry of phonon modes by polarized light measurements and comparison with calculated phonon…
Understanding collective phenomena in quantum materials from first principles is a promising route toward engineering materials properties on demand and designing new functionalities. This work examines the quantum paraelectric state, an…
The detailed temperature dependence of the infrared-active mode in Fe$_{1.03}$Te ($T_N\simeq 68$ K) and Fe$_{1.13}$Te ($T_N\simeq 56$ K) has been examined, and the position, width, strength, and asymmetry parameter determined using an…
Chromium thiophosphate (CrPS4), a monoclinic crystal of C_2^3 space group, is a ternary layered semiconductor with an optical bandgap of 1.4 eV and exhibits antiferromagnetism below 36 K. Despite its potential in optoelectronic and magnetic…
We report on the temperature dependent Raman spectroscopic studies of orthorombic distorted perovskite YCrO3 in the temperature range of 20-300K. Temperature dependence of DC-magnetization measurement under field cooled and zero field…
The thermal expansion behavior of metal fluorides can be tuned by choosing appropriate metal cation. We present ab-initio lattice dynamical studies on the metal fluorides (CaZrF6, MgZrF6 and SrZrF6) and identify the anharmonic phonon modes…
The Raman peak position and linewidth provide insight into phonon anharmonicity and electron-phonon interactions (EPI) in materials. For monolayer graphene, prior first-principles calculations have yielded decreasing linewidth with…
In this work, we have studied the phonon properties of multi-layered graphene with the use of Molecular Dynamics (MD) simulations and the k-space Autocorrelation Sequence (k-VACS) method. We calculate the phonon dispersion curves, densities…
Anomalous thermal expansion behaviour of several open frame-work compounds has been extensively investigated using the techniques of inelastic neutron scattering and lattice dynamics. These compounds involve increasing level of structural…
Phonon anharmonicity is ubiquitous in real materials and is crucial for understanding thermal properties and phase stability. In this work, we show that anharmonic phonon modes can be obtained by maximizing their vibration stability during…
Phonons, the quantum mechanical representation of lattice vibrations, and their coupling to the electronic degrees of freedom are important for understanding thermal and electric properties of materials. For the first time, phonons have…
We present a detailed temperature-dependent Raman light scattering study of optical phonons in molecular-beam-epitaxy-grown films of the electron-doped superconductor La_{2-x}Ce_{x}CuO_{4} close to optimal doping (x ~ 0.08, T_c = 29 K and x…
Compressively strained epitaxial (001) EuTiO3 thin films of tetragonal symmetry have been deposited on (001) (LaAlO3)_0.29-(SrAl_{1/2}Ta_{1/2}O3)_0.71 (LSAT) substrates by reactive molecular-beam epitaxy. Enhancement of the Neel temperature…
In order to explore the properties of a two-sublattice ferroelectric, we measured the infrared and Raman scattering response of CuInP2S6 across the ferroelectric and glassy transitions and compared our findings to a symmetry analysis,…
We present the results of pressure-dependent far-infrared reflectivity measurements on the multiferroic perovskite BiFeO3 at room temperature. The observed behavior of the infrared-active phonon modes as a funtion of pressure clearly…
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),…