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Polar optical phonons are studied in the framework of the dielectric continuum approach for a prototypical quantum-dot/quantum-well (QD/QW) heterostructure, including the derivation of the electron-phonon interaction Hamiltonian and a…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 F. Comas , Nelson Studart

Recently, the perovskite BiCoO$_3$ has been shown experimentally to be isostructural with PbTiO$_3$, while simultaneously the $d^6$ Co$^{3+}$ ion has a high spin ground state with $C$-type antiferromagnetic ordering. Using hybrid density…

Materials Science · Physics 2016-05-04 Leigh Weston , Xiangyuan Cui , Simon P. Ringer , Catherine Stampfl

We consider how electron-phonon interaction influences the insulator-metal transitions driven by doping in the strongly correlated system. Using the polaronic version of the generalized tight-binding method, we investigate a multiband…

Strongly Correlated Electrons · Physics 2021-11-09 E. I. Shneyder , M. V. Zotova , S. V. Nikolaev , S. G. Ovchinnikov

Employing a variational approach that takes into account electron-phonon and magnetic interactions in $La_{1-x}A_xMnO_3$ perovskites with $0<x<0.5$, the effects of the magnetic field and the oxygen isotope substitution on the phase diagram,…

Strongly Correlated Electrons · Physics 2009-11-07 C. A. Perroni , V. Cataudella , G. De Filippis , G. Iadonisi , V. Marigliano Ramaglia , F. Ventriglia

We use density functional theory (DFT) calculations to study the lattice vibrations and electronic properties of the correlated metal LaNiO$_3$. To characterize the rhombohedral to cubic structural phase transition of perovskite LaNiO$_3$,…

Materials Science · Physics 2011-11-09 Gaoyang Gou , Ilya Grinberg , Andrew M. Rappe , James M. Rondinelli

The electronic state around a single vacancy in silicon crystal is investigated by using the Green's function approach. The triply degenerate charge states are found to be widely extended and account for extremely large elastic softening at…

Strongly Correlated Electrons · Physics 2015-05-13 Takemi Yamada , Youichi Yamakawa , Yoshiaki Ōno

The effect of the spin-orbit coupling on the ground state properties of the square-lattice three-band Hubbard model with a single electron per site is studied by a generalized Hartree-Fock approximation. We calculate the full phase diagram…

Strongly Correlated Electrons · Physics 2024-09-30 Petr A. Igoshev , Danil E. Chizhov , Valentin Yu. Irkhin , Sergey V. Streltsov

In this work, we investigate the local structural distortion of the double perovskite Ba$_2$YMoO$_6$ by means of infrared transmission spectroscopy. At 300 K, three bands are observed at $\sim$ 255.1 cm$^{-1}$, $\sim$ 343.4 cm$^{-1}$, and…

Strongly Correlated Electrons · Physics 2013-04-05 Zhe Qu , Youming Zou , Shile Zhang , Langsheng Ling , Lei Zhang , Yuheng Zhang

The presence of spin-polarized charge carriers in metallic magnets provides a mechanism for spin-lattice interactions mediated by electron-phonon coupling. Here, we present a theory of this mechanism used to estimate its effect on the…

Materials Science · Physics 2024-08-20 Danis I. Badrtdinov , Mikhail I. Katsnelson , Alexander N. Rudenko

Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic…

Strongly Correlated Electrons · Physics 2017-04-19 A. C. Jacko , A. L. Khosla , J. Merino , B. J. Powell

We study the triangular antiferromagnet Cu$_3$ in external electric fields, using symmetry group arguments and a Hubbard model approach. We identify a spin-electric coupling caused by an interplay between spin exchange, spin-orbit…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Mircea Trif , Filippo Troiani , Dimitrije Stepanenko , Daniel Loss

We present a theory of the acoustic phonon assisted spin-flip Raman scattering (SFRS), or resonant photoluminescence with the spin flip of a photoexcited exciton localized in a bulk cubic-phase perovskite semiconductor. We consider the…

Materials Science · Physics 2024-02-05 A. V. Rodina , E. L. Ivchenko

The mechanism of spin-phonon coupling (SPC) and possible consequencies for the properties of high-$T_C$ copper oxides are presented. The results are based on ab-initio LMTO band calculations and a nearly free-electron (NFE) model of the…

Superconductivity · Physics 2009-02-23 T. Jarlborg

We introduce variational wave functions to evaluate the ground-state properties of spin-phonon coupled systems described by the Su-Schrieffer-Heeger model. Quantum spins and phonons are treated on equal footing within a Monte Carlo…

Strongly Correlated Electrons · Physics 2020-10-06 Francesco Ferrari , Roser Valenti , Federico Becca

We investigate the antiferromagnetic insulating state of the recently discovered double perovskites Sr$_2$XOsO$_6$ (X$=$Sc, Mg) by using ab-initio calculations (based on Density Functional Theory and Dynamical Mean-Field Theory) to…

Strongly Correlated Electrons · Physics 2016-11-22 Gianluca Giovannetti

Effects of quantum phonon fluctuations on the Peierls dimerization in the one-dimensional molecular crystal model are reexamined by a functional integral approach. An equation for the dimerization order parameter is obtained within a…

Condensed Matter · Physics 2009-10-28 C. Q. Wu , Q. F. Huang , X. Sun

The theory of Raman scattering by the electron--phonon coupled system in metals and heavily doped semiconductors is developed taking into account the Coulomb screening and the electron--phonon deformation interaction. The Boltzmann equation…

Materials Science · Physics 2009-11-10 L. Falkovsky

The coupling between electrons and phonons in solids plays a central role in describing many phenomena, including superconductivity and thermoelecric transport. Calculations of this coupling are exceedingly demanding as they necessitate…

Materials Science · Physics 2020-09-16 Anderson S. Chaves , Alex Antonelli , Daniel T. Larson , Efthimios Kaxiras

Reflection and transmission as a function of temperature have been measured on a single crystal of the magnetoelectric ferrimagnetic compound Cu$_{2}$OSeO$_{3}$ utilizing light spanning the far infrared to the visible portions of the…

Materials Science · Physics 2015-05-19 K. H. Miller , X. S. Xu , H. Berger , E. S. Knowles , D. J. Arenas , M. W. Meisel , D. B. Tanner

The electronic spin precession in semiconductor dots is strongly affected by the spin-orbit coupling. We present a theory of the electronic spin resonance at low magnetic fields that predicts a strong dependence on the dot occupation, the…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Manuel Valin-Rodriguez , Antonio Puente , Llorens Serra , Enrico Lipparini