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We calculate the effect of local magnetic moments on the electron-phonon coupling in BaFe$_{2}$As$_{2}+\delta$ using the density functional perturbation theory. We show that the magnetism enhances the total electron-phonon coupling by $\sim…

Superconductivity · Physics 2010-09-13 Lilia Boeri , Matteo Calandra , Igor I. Mazin , Oleg V. Dolgov , Francesco Mauri

We recently developed an approach for calculation of the electron-phonon (electron-ion in a more general case) coupling in materials based on tight-binding molecular dynamics simulations. In the present work we utilize this approach to…

Materials Science · Physics 2023-02-17 Nikita Medvedev , Igor Milov

We consider a one-dimensional system of electrons interacting via a short-range repulsion and coupled to phonons close to the metal-insulator transition at half filling. We argue that the metal-insulator transition can be described as a…

Condensed Matter · Physics 2015-06-25 M. Fabrizio , C. Castellani , C. Di Castro

Multiferroics possess two or more switchable states such as polarization, magnetization, etc. Phonon excitations in multiferroic phase are strongly modified by magnetoelectric coupling, spin-phonon coupling, and anharmonic phonon-phonon…

Materials Science · Physics 2021-10-26 Bommareddy Poojitha , Ankit Kumar , Anjali Rathore , Surajit Saha

The metallic surface states of a topological insulator support helical Dirac fermions protected by topology with their spin locked perpendicular to their momentum. They can acquire mass through magnetic doping or through hybridization of…

Mesoscale and Nanoscale Physics · Physics 2015-04-14 Zhou Li , J. P. Carbotte

We present the results of inelastic x-ray scattering for magnetite and analyze the energies and spectral widths of the phonon modes with different symmetries in a broad range of temperature 125<T<293 K. The phonon modes with X_4 and Delta_5…

The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indicate the boron-doped diamond is a phonon mediated…

Superconductivity · Physics 2007-05-23 H. J. Xiang , Zhenyu Li , Jinlong Yang , J. G. Hou , Qingshi Zhu

We present a detailed first principles study of Fe-pnictides with particular emphasis on competing magnetic interactions, structural phase transition, giant magneto-elastic coupling and its effect on phonons. The exchange interactions…

Superconductivity · Physics 2010-06-23 Taner Yildirim

Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…

Materials Science · Physics 2025-08-21 Aleksandr Poliukhin , Nicola Colonna , Francesco Libbi , Samuel Poncé , Nicola Marzari

The spin-phonon coupling in magnetic materials is due to the modulation of the exchange integral by lattice vibrations. BaFe12O19 M-type hexaferrite, which is the most used magnetic material as permanent magnet, transforms into ferromagnet…

Materials Science · Physics 2015-06-22 Flávio M. Silva Júnior , Carlos W. A. Paschoal

Superconductors without inversion symmetry in their crystal structure are known to exhibit unconventional properties. Recently, based on the measured temperature dependence of the magnetic field penetration depth, superconductivity in…

Superconductivity · Physics 2021-09-08 Gabriel Kuderowicz , Paweł Wójcik , Bartlomiej Wiendlocha

The theory of Raman scattering in half-metals by optical phonons interacting with conduction electrons is developed. We evaluate the effect of electron-phonon interactions at ferromagnetic ordering in terms of the Boltzmann equation for…

Materials Science · Physics 2014-03-25 L. A. Falkovsky

Quaternary Heusler alloys Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure and spectroscopic properties were calculated using the full relativistic…

Charge, spin and lattice degrees of freedom are strongly entangled in iron superconductors. A neat consequence of this entanglement is the behavior of the A_{1g} As-phonon resonance in the different polarization symmetries of Raman…

Strongly Correlated Electrons · Physics 2013-10-08 N. A. García-Martínez , B. Valenzuela , S. Ciuchi , E. Cappelluti , M. J. Calderón , E. Bascones

A nonperturbative dynamical coupling approach based on tight-binding molecular dynamics is used to evaluate the electron-ion (electron-phonon) coupling parameter in irradiated semiconductors as a function of the electronic temperature up to…

Materials Science · Physics 2023-10-25 Nikita Medvedev

We have measured the resistivity of PrFeAsO$_{1-x}$F$_y$ samples over a wide range of temperature in order to elucidate the role of electron-phonon interaction on normal- and superconducting-state properties. The linear T dependence of…

Superconductivity · Physics 2009-11-13 D. Bhoi , P. Mandal , P. Choudhury

The magnetic properties of the $Fe_{1-x}Ru_x$ alloy system for 0 $\leq$ x $\leq$ 0.10 are studied by using a mean-field approximation based on the Bogoliubov inequality. Ferromagnetic Fe-Fe spin correlations and antiferromagnetic Fe-Ru and…

Statistical Mechanics · Physics 2015-05-13 C. Paduani , N. S. Branco

We study the effect of the electron-phonon coupling on vibrational eigenmodes of nano- and micro-mechanical systems made of semiconductors with equivalent energy valleys. We show that the coupling can lead to a strong mode nonlinearity. The…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Kirill Moskovtsev , M. I. Dykman

We study the principal aspects of the interaction between acoustic phonons and two-dimensional electrons in quantizing magnetic fields corresponding to even denominator fractions. Using the composite fermion approach we derive the vertex of…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 D. V. Khveshchenko , M. Reizer

We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the high-T_c superconductor YBa_2Cu_3O_7 within the framework of density functional perturbation theory using a mixed-basis pseudopotential…

Superconductivity · Physics 2009-11-07 K. -P. Bohnen , R. Heid , M. Krauss
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