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We show an efficient way to compute the electron-phonon coupling constant, $\lambda$, and the superconducting transition temperature, Tc from first-principles calculations. This approach gives rapid convergence of Tc with respect to the…

Superconductivity · Physics 2017-10-11 Takashi Koretsune , Ryotaro Arita

A synthetic iterative scheme is developed for thermal applications in hotspot systems with large temperature variance. Different from previous work with linearized equilibrium state and small temperature difference assumption, the phonon…

Mesoscale and Nanoscale Physics · Physics 2024-07-10 Chuang Zhang , Qin Lou , Hong Liang

The effect of electron-phonon scattering processes over the thermoelectric properties of extrinsic graphene was studied. Electrical and thermal resistivity, as well as the thermopower, were calculated within the Bloch theory approximations.…

Mesoscale and Nanoscale Physics · Physics 2012-08-02 Enrique Muñoz

Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent the aforementioned challenge via the generalized…

Materials Science · Physics 2024-03-01 Mark A. Mathis , Chris A. Marianetti

The femtosecond optical pump-probe technique was used to study dynamics of photoexcited electrons and coherent optical phonons in transition metals Zn and Cd as a function of temperature and excitation level. The optical response in time…

Strongly Correlated Electrons · Physics 2009-11-11 Muneaki Hase , Kunie Ishioka , Jure Demsar , Kiminori Ushida , Masahiro Kitajima

We present an ab-initio study of the temperature dependent elastic constants of BAs, a semiconductor that exhibits ultra-high thermal conductivity and is under investigation for thermal management in electronics. We test the consistency of…

Materials Science · Physics 2020-07-15 Cristiano Malica , Andrea Dal Corso

A model of charged hole-pair bosons, with long range Coulomb interactions and very weak interlayer coupling, is used to calculate the order parameter -Phi- of underdoped cuprates. Model parameters are extracted from experimental superfluid…

Superconductivity · Physics 2010-01-12 Alexander Mihlin , Assa Auerbach

We present two loop corrections to photon self energy at finite temperature in real time formalism. An expression for renormalized coupling constant has been derived in a form that is relevant for all temperature ranges of interest in QED,…

High Energy Physics - Theory · Physics 2013-10-15 Samina S. Masood , Mahnaz Q. Haseeb

The effect of ferroelectric fluctuations on the temperature dependent dielectric constant of SrTiO$_3\,$(STO) has been long studied. Those fluctuations have been shown in recent years to be quantum critical and STO demonstrated to form the…

Strongly Correlated Electrons · Physics 2019-12-18 M. J. Coak , C. R. S. Haines , C. Liu , G. G. Guzmán-Verri , S. S. Saxena

First-principles phonon calculations along with density functional theory (DFT) play an important role to study the dynamical and thermal properties of materials. Here, we investigate the effect of exchange correlation (XC) functionals on…

Materials Science · Physics 2021-03-17 Shamim Sk , Sudhir K. Pandey

The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in…

Chemical Physics · Physics 2009-11-10 Junzo Chihara , Mitsuru Yamagiwa

A stability criterion is worked out for the superconducting phase. The validity of a prerequisite, established previously for persistent currents, is thereby confirmed. Temperature dependence is given for the specific heat and concentration…

Superconductivity · Physics 2021-01-27 Jacob Szeftel , Nicolas Sandeau , Michel Abou Ghantous , Muhammad El-Saba

Organic semiconductors show complex phenomena due to their high energetic disorder. A striking example is the possibility of an increased effective temperature T_eff of the charge carrier distribution relative to the lattice temperature,…

Disordered Systems and Neural Networks · Physics 2025-08-08 Anton Kompatscher , Martijn Kemerink

Employing the Monte-Carlo method and the exact diagonalization, we have investigated the temperature dependence of the thermoelectric power (TEP) for the double exchange model in the dilute carrier concentration limit. We have found that…

Strongly Correlated Electrons · Physics 2009-11-13 Beom Hyun Kim , Unjong Yu , Kyoo Kim , B. I. Min

A simple hot electron thermocouple is realized in a two-dimensional electron system (2DES) and used to measure the diffusion thermopower of the 2DES at zero magnetic field. This hot electron technique, which requires no micron-scale…

Mesoscale and Nanoscale Physics · Physics 2009-07-27 W. E. Chickering , J. P. Eisenstein , J. L. Reno

The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…

Materials Science · Physics 2025-01-31 Aloïs Castellano , J. P. Alvarinhas Batista , Olle Hellman , Matthieu J. Verstraete

The temperature and pressure dependence of the partial density of phonon states of iron atoms in superconducting Fe1.01Se was studied by 57Fe nuclear inelastic scattering (NIS). The high energy resolution allows for a detailed observation…

Superconductivity · Physics 2015-05-18 V. Ksenofontov , G. Wortmann , A. I. Chumakov , T. Gasi , S. Medvedev , T. M. McQueen , R. J. Cava , C. Felser

We studied experimentally the role of phonon dimensionality on electron-phonon (e-p) interaction in thin copper wires evaporated either on suspended silicon nitride membranes or on bulk substrates, at sub-Kelvin temperatures. The power…

Mesoscale and Nanoscale Physics · Physics 2007-11-26 J. T. Karvonen , I. J. Maasilta

We calculate the free energies of unstable stacking fault (USF) configurations on the glide and shuffle slip planes in silicon as a function of temperature, using the recently developed Environment Dependent Interatomic Potential (EDIP). We…

Materials Science · Physics 2009-10-31 M. de Koning , A. Antonelli , Martin Z. Bazant , Efthimios Kaxiras , J. F. Justo

Phonon quasi-particles have been monumental in microscopically understanding thermodynamics and transport properties in condensed matter for decades. Phonons have one-to-one correspondence with harmonic eigenstates and their energies are…

Materials Science · Physics 2024-08-27 Jaeyun Moon , Leo Zella , Lucas Lindsay