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The remarkable anharmonicity of the E_{2g} phonon in MgB_2 has been suggested in literature to play a primary role in its superconducting pairing. We investigate, by means of LDA calculations, the microscopic origin of such an anharmonicity…

Superconductivity · Physics 2009-11-07 Lilia Boeri , Giovanni B. Bachelet , Emmanuele Cappelluti , Luciano Pietronero

In small Fermi energy metals, disorder can deeply modify superconducting state properties leading to a strong suppression of the critical temperature $T_c$. In this paper, we show that also normal state properties can be seriously…

Superconductivity · Physics 2009-11-07 E. Cappelluti , C. Grimaldi , L. Pietronero

Neutron scattering shows that non-Fermi-liquid behavior of the heavy-Fermion compound CeNi_2Ge_2 is brought about by development of low-energy spin fluctuations with an energy scale of 0.6 meV. They appear around antiferromagnetic wave…

Strongly Correlated Electrons · Physics 2007-05-23 H. Kadowaki , T. Fukuhara , K. Maezawa

The evidence for the key role of the $\sigma$ bands in the electronic properties of MgB$_2$ points to the possibility of nonadiabatic effects in the superconductivity of these materials. These are governed by the small value of the Fermi…

Superconductivity · Physics 2009-11-07 E. Cappelluti , S. Ciuchi , C. Grimaldi , L. Pietronero , S. Strässler

The anomalous features of the Raman spectroscopy measurement in MgB$_2$ represent a still unresolved puzzle. In particular highly debated are the origin of the huge $E_{2g}$ phonon linewidth, the nature of the low energy ($\omega <…

Superconductivity · Physics 2009-11-11 E. Cappelluti

Neutron scattering shows that non-Fermi-liquid behavior of the heavy-fermion compound CeNi_2Ge_2 is brought about by the development of low-energy spin fluctuations with an energy scale of 0.6 meV. They appear around the antiferromagnetic…

Strongly Correlated Electrons · Physics 2007-05-23 H. Kadowaki , B. Fåk , T. Fukuhara , K. Maezawa , K. Nakajima , M. A. Adams , S. Raymond , J. Flouquet

We present {\it ab-initio} time-dependent density-functional theory calculation results for low-energy collective electron excitations in $\textrm{MgB}_2$. The existence of a long-lived collective excitation corresponding to coherent charge…

Superconductivity · Physics 2015-05-13 V. M. Silkin , A. Balassis , P. M. Echenique , E. V. Chulkov

A series of calculations on MgB2 and related isoelectronic systems indicates that the layer of Mg(2+) ions lowers the non-bonding B "pi" (p_z) bands relative to the bonding "sigma" (sp_xp_y) bands compared to graphite, causing sigma --> pi…

Superconductivity · Physics 2009-11-07 J. M. An , W. E. Pickett

We elucidate the origin of the phonon-mediated superconductivity in 2$H$-NbS$_2$ using the ab initio anisotropic Migdal-Eliashberg theory including Coulomb interactions. We demonstrate that superconductivity is associated with Fermi surface…

We report the boron isotope effect on the E2g phonon mode by micro-Raman spectroscopy on the ternary Mg1-xAlxB2 system, synthesized with pure isotopes 10B and 11B. The isotope coefficient on the phonon frequency is near 0.5 in the full…

Superconductivity · Physics 2013-04-09 L. Simonelli , V. Palmisano , M. Fratini , M. Filippi , P. Parisiades , D. Lampakis , E. Liarokapis , A Bianconi

We analyze the normal electronic states of Na$_{0.35}$CoO$_2$ based on the multi-orbital Hubbard model using the FLEX approximation. The fundamental electronic property of this system is drastically changed by the presence or absence of the…

Strongly Correlated Electrons · Physics 2009-11-11 Keiji Yada , Hiroshi Kontani

Energy band structures are calculated for the new superconductor MgB$_2$ and the related compounds by using the LDA and an FLAPW method. It is found that the strong three dimensional network in low-lying $\pi$ bands brings about two…

Superconductivity · Physics 2009-11-07 Hisatomo Harima

We report first-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB$_{2}$. The excellent agreement between theory and our inelastic neutron scattering measurements of the phonon…

The unusual Raman spectrum of MgB$_2$ and its formidable temperature dependence are successfully reproduced by means of a parameter-free \emph{ab initio} nonadiabatic theory that accounts for the electron-hole pair scattering mechanisms…

Materials Science · Physics 2018-08-01 Dino Novko

We analyze quantum fluctuation effects at the onset of incommensurate $2k_F$ charge- or spin-density wave order in two-dimensional metals, for a model where the ordering wave vector $\boldsymbol{Q}$ connects a single pair of hot spots on…

Strongly Correlated Electrons · Physics 2024-07-09 Lukas Debbeler , Walter Metzner

We study the influence of quantum fluctuations on the electron self energy in the normal state of iron-pnictide superconductors using a five orbital tight binding model with generalized Hubbard on-site interactions. Within a one-loop…

Strongly Correlated Electrons · Physics 2012-12-14 Wei-Cheng Lee , Philip W. Phillips

We consider a model Hamiltonian fitted on the ab-initio band structure to describe the electron-phonon coupling between the electronic $\sigma-$bands and the phonon E$_{2g}$ mode in MgB$_2$. The model allows for analytical calculations and…

Superconductivity · Physics 2009-11-10 Matteo Calandra , Francesco Mauri

The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By…

Superconductivity · Physics 2023-03-01 Nina Girotto , Dino Novko

We argue that because of valence-fluctuation caused dynamical changes (fluctuations) of impurity energies in the impurity band of SmB6, energies of electrons occupying impurity sites can be due to the uncertainty principle only estimated…

Strongly Correlated Electrons · Physics 2017-06-07 M. Batkova , I. Batko

We analyze quantum fluctuation effects at the onset of charge or spin density wave order in two-dimensional metals with an incommensurate $2k_F$ wave vector connecting a single pair of hot spots on the Fermi surface. We compute the momentum…

Strongly Correlated Electrons · Physics 2018-11-15 Jáchym Sýkora , Tobias Holder , Walter Metzner
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