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Antiferromagnetic materials with strong spin-phonon coupling have the potential for spintronic applications. Here, we report the structural, magnetic, and vibrational properties of 12R-BaTi0.4Mn0.6O3. Temperature-dependent magnetization…

Materials Science · Physics 2021-10-27 Bommareddy Poojitha , Anjali Rathore , Surajit Saha

Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…

Materials Science · Physics 2024-01-05 David J. Abramovitch , Jin-Jian Zhou , Jernej Mravlje , Antoine Georges , Marco Bernardi

The interplay of electron-electron and electron-phonon interactions is studied analytically in the Kondo regime. A Holstein electron-phonon coupling is shown to produce a weakening of the gate voltage dependence of the Kondo temperature and…

Strongly Correlated Electrons · Physics 2007-05-23 C. A. Balseiro , P. S. Cornaglia , D. R. Grempel

We study the strength of the electron-phonon interaction on Fe single adatoms on MgO/Ag(100) based on many-body \textit{ab-initio} spin collinear calculations. In particular, we analyze the relative importance of the substrate and, among…

Mesoscale and Nanoscale Physics · Physics 2021-11-19 Haritz Garai-Marin , Julen Ibañez-Azpiroz , Peio Garcia-Goiricelaya , Idoia G. Gurtubay , Asier Eiguren

Modeling spin-wave (magnon) dynamics in novel materials is important to advance spintronics and spin-based quantum technologies. The interactions between magnons and lattice vibrations (phonons) limit the length scale for magnon transport.…

The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of…

Strongly Correlated Electrons · Physics 2007-05-23 C. A. Perroni , V. Cataudella , G. De Filippis , V. Marigliano Ramaglia

Coupling between electrons and phonons (lattice vibrations) drives the formation of the electron pairs responsible for conventional superconductivity. The lack of direct evidence for electron-phonon coupling in the electron dynamics of the…

The electronic structures, lattice dynamics, and magnetic properties of crystal {\beta}-FeSe under hydrostatic pressure have been studied by using the first-principles electronic structure calculations with van der Waals (vdW) corrections.…

Superconductivity · Physics 2013-11-25 Qian-Qian Ye , Kai Liu , Zhong-Yi Lu

In this work, the effect of electron-phonon (e-ph) coupling on both electron and phonon transport of metals is investigated via first principles calculations. A Monte-Carlo (MC) approach for solving the coupled electron-phonon Boltzmann…

Materials Science · Physics 2024-02-14 Jie Peng , W. Ryan Deskins , Maria Helena Braga , Anter El-Azab

The mechanisms for strong electron-phonon coupling predicted for hydrogen-rich alloys with high superconducting critical temperature ($T_c$) are examined within the Migdal-Eliashberg theory. Analysis of the functional derivative of $T_c$…

Superconductivity · Physics 2017-09-28 K. Tanaka , J. S. Tse , H. Liu

The rate of energy transfer between electrons and phonons is investigated by a first principles framework for electron temperatures up to $T_e=50000$ K while considering the lattice at ground state. Two typical but differently complex…

Other Condensed Matter · Physics 2022-03-08 Jia Zhang , Rui Qin , Wenjun Zhu , Jan Vorberger

The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single layer transition metal dichalchogenides such as MoS$_2$ or WS$_2$. This permits a direct comparison of the…

We investigate the effect of tuning the phonon energy on the correlation effects in models of electron-phonon interactions using DMFT. In the regime where itinerant electrons, instantaneous electron-phonon driven correlations and static…

Strongly Correlated Electrons · Physics 2015-05-13 J. P. Hague , N. d'Ambrumenil

We use first-principles methods to study doped strong ferroelectrics (taking BaTiO$_3$ as a prototype). Here we find a strong coupling between itinerant electrons and soft polar phonons in doped BaTiO$_3$, contrary to Anderson/Blount's…

Materials Science · Physics 2021-04-21 Jiaji Ma , Ruihan Yang , Hanghui Chen

Structural phase transitions and soft phonon modes pose a longstanding challenge to computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we develop a first-principles approach to compute e-ph scattering and…

Materials Science · Physics 2018-12-04 Jin-Jian Zhou , Olle Hellman , Marco Bernardi

The electron-phonon interaction in monolayer graphene is investigated by using density functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 K. M. Borysenko , J. T. Mullen , E. A. Barry , S. Paul , Y. G. Semenov , J. M. Zavada , M. Buongiorno Nardelli , K. W. Kim

A comprehensive ellipsometric study was performed on Fe$_{1-x}$Co$_{x}$Si single crystals in the spectral range from 0.01 eV to 6.2 eV. Direct and indirect band gaps of 73 meV and 10 meV, respectively, were observed in FeSi at 7 K. One of…

Materials Science · Physics 2015-05-13 D. Menzel , P. Popovich , N. N. Kovaleva , J. Schoenes , K. Doll , A. V. Boris

Electron-phonon (E-p) coupling incorporated density functional theory (DFT) based investigation of structural, electronic and vibrational properties of bulk MgSe and MgTe is presented. Electron-phonon coupling is incorporated to understand…

Materials Science · Physics 2024-11-19 Maitry Joshi , Trupti K Gajaria , Prafulla K. Jha

We report on bifurcations effect mediated by the electron-phonon coupling in a concentrated rare-earth-containing antiferromagnet, observed in the spectra of coupled $4f$-electron-phonon modes under the influence of an external magnetic…

Iron, cobalt and nickel are archetypal ferromagnetic metals. In bulk, electronic conduction in these materials takes place mainly through the $s$ and $p$ electrons, whereas the magnetic moments are mostly in the narrow $d$-electron bands,…

Strongly Correlated Electrons · Physics 2009-06-18 M. R. Calvo , J. Fernández-Rossier , J. J. Palacios , D. Jacob , D. Natelson , C. Untiedt