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Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1xGex thermoelectric materials prepared via ball milling and hot-pressing techniques.…

Materials Science · Physics 2012-12-19 Chetan Dhital , D. L. Abernathy , Gaohua Zhu , Zhifeng Ren , D. Broido , Stephen D. Wilson

Heat transport at nanoscales in semiconductors is investigated with a statistical method. The Boltzmann Transport Equation (BTE) which characterize phonons motion and interaction within the crystal lattice has been simulated with a Monte…

Classical Physics · Physics 2009-11-11 David Lacroix , Karl Joulain

We report a neutron and Raman scattering study of a single-crystal of La(2)CuO(4.05) prepared by high temperature electrochemical oxidation. Elastic neutron scattering measurements show the presence of two phases, corresponding to the two…

Using a combination of infrared ellipsometry, time-domain terahertz spectroscopy, and far-infrared reflectometry we have obtained the $ac$-plane complex dielectric function of monoclinic ($C2/c$) Ta$_2$NiSe$_5$ and orthorhombic ($Cmcm$)…

Strongly Correlated Electrons · Physics 2018-09-12 T. I. Larkin , R. D. Dawson , M. Höppner , T. Takayama , M. Isobe , Y. -L. Mathis , H. Takagi , B. Keimer , A. V. Boris

Monolayer hexagonal boron nitride is a prototypical planar 2-dimensional system material and has been the subject of many investigations of its exceptional vibrational, spectroscopic and transport properties. The lattice thermal…

Materials Science · Physics 2025-06-18 José Pedro Alvarinhas Batista , Matthieu J. Verstraete , Aloïs Castellano

Understanding the influence of phonon-mediated processes on grazing-incidence fast atom diffraction (GIFAD) patterns is relevant for its use as a surface analysis technique. In this work, we apply the Phonon-Surface Initial Value…

Materials Science · Physics 2023-04-26 L. Frisco , M. S. Gravielle

We present a phenomenological force-constant model developed for the description of lattice dynamics of sp2 hybridized carbon networks. Within this model approach, we introduce a new set of parameters to calculate the phonon dispersion of…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 J. Zimmermann , P. Pavone , G. Cuniberti

Because electrons and ions form a coupled system, it is a priori clear that the dynamics of the lattice should reflect symmetry breaking within the electronic degrees of freedom. This has been recently clearly evidenced for the case of…

Strongly Correlated Electrons · Physics 2023-03-03 Léo Mangeolle , Leon Balents , Lucile Savary

The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VII, VIII, and H). The negative thermal expansion (NTE)…

Materials Science · Physics 2014-01-28 Ville J. Härkönen , Antti J. Karttunen

We have measured far infrared reflectance and transmittance spectra as well as Raman scattering spectra of \alpha'-NaV2O5 single crystals for all the principal polarizations. The temperature range above the phase transition temperature…

Strongly Correlated Electrons · Physics 2019-08-17 M. N. Popova , A. B. Sushkov , S. A. Golubchik , B. N. Mavrin , V. N. Denisov , B. Z. Malkin , A. I. Iskhakova , M. Isobe , Y. Ueda

Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…

Materials Science · Physics 2019-02-27 Dhritiman Chakraborty , Laura de Sousa Oliveira , Neophytos Neophytou

Spatiotemporal dynamics of excitons in isolated semiconducting single-walled carbon nanotubes are studied using transient absorption microscopy. Differential reflection and transmission of an 810-nm probe pulse after excitation by a 750-nm…

Mesoscale and Nanoscale Physics · Physics 2013-01-08 Brian A. Ruzicka , Rui Wang , Jessica Lohrman , Shenqiang Ren , Hui Zhao

We explore the Fano resonance in ZrTe5, using Raman scattering measurements. We identified two closely spaced B2g phonon modes, B2g I and B2g II, around 9 meV and 10 meV, respectively. Interestingly, only B2g I exhibited the Fano resonance,…

Thermal boundary resistance is a critical quantity that controls heat transfer at the nanoscale, which is primarily related to interfacial phonon scattering. Here, we combine lattice dynamics calculations and inputs from first principles ab…

Mesoscale and Nanoscale Physics · Physics 2017-10-30 Ali Alkurdi , Stéphane Pailhès , Samy Merabia

We demonstrate how supercell implementations of conventional lattice dynamical calculations can be used to determine the extent and nature of disorder-induced broadening in the phonon dispersion spectrum of disordered crystalline materials.…

Disordered Systems and Neural Networks · Physics 2017-04-26 Alistair R. Overy , Arkadiy Simonov , Philip A. Chater , Matthew G. Tucker , Andrew L. Goodwin

A drastic variation (~47%) in thermal conductivity (\k{appa}) for synthesized samples (TiCoSb1+x, x=0.0, 0.01, 0.02, 0.03, 0.04, and 0.06) is observed. The lowest \k{appa} is reported for the TiCoSb1.02 sample. Thermal variation of \k{appa}…

Room temperature phonon dynamics in crystals of the high-Tc superconductor Bi2Sr2CaCu2O(8+delta) were probed using Brillouin light scattering spectroscopy. Eight distinct acoustic modes were observed and identified, including two…

Materials Science · Physics 2022-09-14 Bradley D. E. McNiven , James P. F. LeBlanc , Gordon T. Andrews

X-ray and neutron powder diffraction data as a function of temperature are analyzed for the colossal dielectric constant material CaCu3Ti4O12. The local structure is studied using atomic pair distribution function analysis. No evidence is…

Materials Science · Physics 2009-11-10 E. S. Bozin , V. Petkov , P. W. Barnes , P. M. Woodward , T. Vogt , S. D. Mahanti , S. J. L. Billinge

We experimentally demonstrate time-resolved exciton propagation in a monolayer semiconductor at cryogenic temperatures. Monitoring phonon-assisted recombination of dark states, we find a highly unusual case of exciton diffusion. While at 5…

This work presents the first principles calculations of the lattice thermal conductivity degradation due to point defects in thorium dioxide using an alternative solution of the Pierels-Boltzmann transport equation. We have used the…

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