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We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB_2 and the isostructural AlB_2 within the framework of density functional perturbation theory using a mixed-basis…

超导电性 · 物理学 2009-11-07 K. -P. Bohnen , R. Heid , B. Renker

I study the lattice dynamics and electron-phonon coupling in non-centrosymmetric quasi-one-dimensional K$_2$Cr$_3$As$_3$ using density functional theory based first principles calculations. The phonon dispersions show stable phonons without…

超导电性 · 物理学 2016-04-13 Alaska Subedi

We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…

超导电性 · 物理学 2023-10-31 Marco-Antonio Carmona-Galván , Rolf Heid , Omar De la Peña-Seaman

We present a combined density-functional-perturbation-theory and inelastic neutron scattering study of the lattice dynamical properties of YNi2B2C. In general, very good agreement was found between theory and experiment for both phonon…

超导电性 · 物理学 2015-06-19 F. Weber , L. Pintschovius , W. Reichardt , R. Heid , K. -P. Bohnen , A. Kreyssig , D. Reznik , K. Hradil

We investigate the interplay of the electron-phonon and the spin fluctuation interaction for the superconducting state of YBa$_2$Cu$_3$O$_{7}$. The spin fluctuations are described within the nearly antiferromagnetic Fermi liquid theory,…

超导电性 · 物理学 2009-10-31 T. S. Nunner , J. Schmalian , K. H. Bennemann

We examine coherent phonons in a strongly driven sample of optimally-doped high temperature superconductor YBa$_2$Cu$_3$O$_{7-\delta}$. We observe a non-linear lattice response of the 4.5\,THz copper-oxygen vibrational mode at high…

Using full-potential, density-functional-based methods we have studied electron-phonon interaction in ZrB2 and TaB2 in P6/mmm crystal structure. Our results for phonon density of states and Eliashberg function show that the electron-phonon…

超导电性 · 物理学 2009-11-10 Prabhakar P. Singh

We measure the anisotropic mid-infrared response of electrons and phonons in bulk YBa2Cu3O7 after femtosecond photoexcitation. A line shape analysis of specific lattice modes reveals their transient occupation and coupling to the…

The electron-phonon interaction is of central importance for the electrical and thermal properties of solids, and its influence on superconductivity, colossal magnetoresistance, and other many-body phenomena in correlated-electron materials…

The crystal structure and lattice phonons of (BEDT-TTF)_2I_3 superconducting \beta-phase are computed and analyzed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Whereas the crystal structure and its temperature and pressure…

超导电性 · 物理学 2024-11-26 A. Girlando , M. Masino , G. Visentini , R. G. Della Valle , A. Brillante , E. Venuti

Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…

凝聚态物理 · 物理学 2009-10-28 S. Y. Savrasov , D. Y. Savrasov

This research aims to investigate the synergistic effect between charge density wave, selective electron-phonon coupling under antiferromagnetic fluctuations, as well as the unusual electron distribution observed in ARPES data in YBa2Cu3Ox…

超导电性 · 物理学 2024-01-05 Chi Ho Wong , Rolf Lortz

Lortz et al. [Phys. Rev. B 73, 024512 (2006)] have utilized specific heat and resistivity measurements as "thermal spectroscopies" to deconvolve the spectrum of the electron-phonon interaction in YB$_6$ assuming a major role of the low…

超导电性 · 物理学 2013-04-01 P. Szabo , J. Girovsky , Z. Pribulova , J. Kacmarcik , T. Mori , P. Samuely

Observed optical reflectivity in the infrared spectral region is compared with theoretical predictions in a strongly coupled electron-phonon system. Starting from a Froehlich Hamiltonian, the spectral functions and their temperature…

超导电性 · 物理学 2007-05-23 H. J. Kaufmann , E. G. Maksimov , E. K. H. Salje

Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…

Phonon measurements in the A15-type superconductors were complicated in the past because of the unavailability of large single crystals for inelastic neutron scattering, e.g., in the case of Nb$_3$Sn, or unfavorable neutron scattering…

超导电性 · 物理学 2019-04-19 A. Sauer , D. A. Zocco , A. H. Said , R. Heid , A. Böhmer , F. Weber

Motivated by predictions of a substantial contribution of the "buckling" vibration of the CuO2 layers to d-wave superconductivity in the cuprates, we have performed an inelastic neutron scattering study of this phonon in an array of…

强关联电子 · 物理学 2015-05-30 M. Raichle , D. Reznik , D. Lamago , R. Heid , Y. Li , M. Bakr , C. Ulrich , V. Hinkov , K. Hradil , C. T. Lin , B. Keimer

I present the results of first principles calculations of the phonon dispersions and electron-phonon coupling for BaTi$_2$Sb$_2$O. The phonon dispersions show a weak lattice instability near the zone corners that leads to a charge-density…

超导电性 · 物理学 2013-02-18 Alaska Subedi

Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…

The attempt to understand cuprate superconductors is complicated by the presence of multiple strong interactions. While many believe that antiferromagnetism is important for the superconductivity, there has been revived interest in the role…

超导电性 · 物理学 2009-11-11 D. Reznik , L. Pintschovius , M. Ito , S. Iikubo , M. Sato , H. Goka , M. Fujita , K. Yamada , G. D. Gu , J. M. Tranquada
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