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We report first-principles calculations of the phonon dispersion spectrum, thermal expansion, and heat capacity of uranium dioxide. The so-called direct method, based on the quasiharmonic approximation, is used to calculate the phonon…

Materials Science · Physics 2015-05-30 Younsuk Yun , Dominik Legut , Peter M. Oppeneer

First-principles prediction of thermal conductivity and radiative properties is crucial. However, computing phonon scattering, especially for four-phonon scattering, could be prohibitively expensive, and the thermal conductivity even for…

Materials Science · Physics 2023-11-23 Ziqi Guo , Zherui Han , Dudong Feng , Guang Lin , Xiulin Ruan

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…

Materials Science · Physics 2017-11-21 R. Mittal , M. K. Gupta , S. L. Chaplot

Results of in-plane and out-of-plane thermal conductivity measurements on $\rm La_{1.8-x}Eu_{0.2}Sr_xCuO_4$ ($0\leq x\leq0.2$) single crystals are presented. The most characteristic features of the temperature dependence are a pronounced…

Superconductivity · Physics 2016-08-16 C. Hess , B. Büchner , U. Ammerahl , A. Revcolevschi

Phonons change remarkable the interatomic bond length in solids and this work suggest a novel method how this behavior can be displayed and analyzed. The bond-length spectrum is plotted for each of the different atomic bonding types. When…

Materials Science · Physics 2008-07-12 Wilfried Wunderlich

We investigate the electronic and vibrational spectra of SrTiO$_3$, as well as the coupling between them, using first-principles calculations. We compute electron-phonon scattering rates for the three lowest-energy conduction bands and use…

The recently discovered layered BiS2-based superconductors have attracted a great deal of interest due to their structural similarity to cuprate and iron-pnictide superconductors. We have performed Raman scattering measurements on two…

Superconductivity · Physics 2016-03-08 Yong Tian , Anmin Zhang , Kai Liu , Jianting Ji , Jianzhong Liu , Xiyu Zhu , Hai-Hu Wen , Feng Jin , Xiaoli Ma , Qing-Ming Zhang

Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched between two bulk reservoirs. We find that thermal transport in…

Materials Science · Physics 2013-05-08 Ivan Duchemin , Davide Donadio

Inelastic neutron scattering is used to measure the temperature dependent phonon dispersion in Ca$_{2-x}$Sr$_{x}$RuO$_{4}$ ($x=0.4$, 0.6). The in-plane $\Sigma_{4}$ octahedral tilt mode softens significantly at the zone boundary of the high…

Strongly Correlated Electrons · Physics 2015-05-13 R. G. Moore , M. D. Lumsden , M. B. Stone , Jiandi Zhang , Y. Chen , J. W. Lynn , R. Jin , D. Mandrus , E. W. Plummer

We report a comprehensive investigation of the lattice dynamics of URu$_2$Si$_2$ as a function of temperature using Raman scattering, optical conductivity and inelastic neutron scattering measurements as well as theoretical {\it ab initio}…

We investigate the ultrafast lattice dynamics in ${1T-TiSe_2}$ using femtosecond reflection pump-probe and pump-pump-probe techniques at room temperature. The time-domain signals and Fourier-transformed spectra show the $A_{1g}$ phonon mode…

Materials Science · Physics 2023-06-12 Yu Mizukoshi , Takumi Fukuda , Yuta Komori , Ryo Ishikawa , Keiji Ueno , Muneaki Hase

Inelastic and elastic neutron scattering have been used to study a single crystal of the Ni$_{54}$Mn$_{23}$Al$_{23}$ Heusler alloy over a broad temperature range. The paper reports the first experimental determination of the low-lying…

High-resolution angle-resolved photoemission spectroscopy and ultrafast optical pump-probe spectroscopy were used to study semimetallic 1T - TiTe2 quasiparticle dispersion and dynamics. A kink and a flat band, having the same energy scale…

We present a model of the lattice dynamics of the rare earth titanate pyrochlores R2Ti2O7 (R=Tb, Dy, Ho), which are important materials in the study of frustrated magnetism. The phonon modes are obtained by density functional calculations,…

We report on the phonon spectrum probed at the $\beta$--FeSe(001) surface by means of high-resolution electron energy-loss spectroscopy (HREELS). Single crystals of $\beta$--FeSe are cleaved under ultra-high vacuum conditions and are…

Superconductivity · Physics 2017-11-21 Khalil Zakeri , Tobias Engelhardt , Thomas Wolf , Matthieu Le Tacon

Aluminum scandium nitride alloy (Al1-xScxN) is regarded as a promising material for high-performance acoustic devices used in wireless communication systems. Phonon scattering and heat conduction processes govern the energy dissipation in…

Materials Science · Physics 2021-02-26 Chao Yuan , Mingyo Park , Yue Zheng , Jingjing Shi , Rytis Dargis , Samuel Graham , Azadeh Ansari

Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room temperature. Nevertheless most {\it ab-initio} studies are…

Mesoscale and Nanoscale Physics · Physics 2016-06-06 Alejandro Molina-Sánchez , Maurizia Palummo , Andrea Marini , Ludger Wirtz

Infrared reflection and transmission as a function of temperature have been measured on single crystals of Cu$_{3}$Bi(SeO$_{3}$)$_{2}$O$_{2}$Cl. The complex dielectric function and optical properties along all three principal axes of the…

Materials Science · Physics 2015-06-05 K. H. Miller , P. W. Stephens , C. Martin , E. Constable , R. A. Lewis , H. Berger , G. L. Carr , D. B. Tanner

We use variable-temperature x-ray thermal diffuse scattering and inelastic scattering to investigate the lattice dynamics in single crystals of multiferroic CaMn7O12 which undergo a series of orbital and magnetic transitions at low…

Strongly Correlated Electrons · Physics 2016-11-24 S. M. Souliou , Y. Li , X. Du , M. Le Tacon , A. Bosak

For over a century, x-ray scattering has been the most powerful tool for determining the equilibrium structure of crystalline materials. Deviations from perfect periodicity, for example due to thermal motion of the atoms, reduces the…

Materials Science · Physics 2013-05-29 M. Trigo , Y. M Sheu , J. Chen , V. H. Vishwanath , T. Graber , R. Henning , D. A. Reis