<i>Ab initio</i>theory of superconductivity in a magnetic field. I. Spin density functional theory for superconductors and Eliashberg equations

Linscheid, A.; Sanna, Antonio; Essenberger, F.; Gross, E. K. U.

doi:10.1103/physrevb.92.024505

Cited by 31 publications

(23 citation statements)

References 56 publications

(96 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On the other hand, it has been shown that SCDFT does not work for nitride superconductors, alkali‐doped fullerides, etc., suggesting that we have to go beyond the standard ME theory to understand superconductivity in these compounds. Thus development of F xc applicable not only to the conventional phonon mechanism but also to other unconventional mechanism is an interesting and exciting challenge …”

Section: Under High Pressuresmentioning

confidence: 99%

Nonempirical Calculation of Superconducting Transition Temperatures in Light‐Element Superconductors

et al. 2017

View full text Add to dashboard Cite

Recent progress in the fully nonempirical calculation of the superconducting transition temperature (T ) is reviewed. Especially, this study focuses on three representative light-element high-T superconductors, i.e., elemental Li, sulfur hydrides, and alkali-doped fullerides. Here, it is discussed how crucial it is to develop the beyond Migdal-Eliashberg (ME) methods. For Li, a scheme of superconducting density functional theory for the plasmon mechanism is formulated and it is found that T is dramatically enhanced by considering the frequency dependence of the screened Coulomb interaction. For sulfur hydrides, it is essential to go beyond not only the static approximation for the screened Coulomb interaction, but also the constant density-of-states approximation for electrons, the harmonic approximation for phonons, and the Migdal approximation for the electron-phonon vertex, all of which have been employed in the standard ME calculation. It is also shown that the feedback effect in the self-consistent calculation of the self-energy and the zero point motion considerably affect the calculation of T . For alkali-doped fullerides, the interplay between electron-phonon coupling and electron correlations becomes more nontrivial. It has been demonstrated that the combination of density functional theory and dynamical mean field theory with the ab initio downfolding scheme for electron-phonon coupled systems works successfully. This study not only reproduces the experimental phase diagram but also obtains a unified view of the high-T superconductivity and the Mott-Hubbard transition in the fullerides. The results for these high-T superconductors will provide a firm ground for future materials design of new superconductors.

show abstract

Section: Under High Pressuresmentioning

confidence: 99%

Nonempirical Calculation of Superconducting Transition Temperatures in Light‐Element Superconductors

et al. 2017

View full text Add to dashboard Cite

show abstract

“…Although gap anisotropy analysis is present in such codes, much of the DFT based ab initio work focused on other aspects. These aspects being; expanding the description of s-wave superconductivity with emphasis on the correct description of the driving mechanism [20][21][22][23][24], or on the extension to unconventional pairing pushing the boundaries in our treatment of iron based [25], spin [26] and magnetic effects [27,28].…”

Section: Introductionmentioning

confidence: 99%

Gap anisotropy in multiband superconductors based on multiple scattering theory

et al. 2020

View full text Add to dashboard Cite

We implement the Bogoliubov-de Gennes (BdG) equation in a screened Korringa-Kohn-Rostoker (KKR) method for solving, self-consistently, the superconducting state for 3d crystals. This method combines the full complexity of the underlying electronic structure and Fermi surface geometry with a simple phenomenological parametrisation for the superconductivity. We apply this theoretical framework to the known s-wave superconductors Nb, Pb, and MgB2. In these materials multiple distinct peaks at the gap in the density of states were observed, showing significant gap anisotropy which is in good agreement with experiment. Qualitatively, the results can be explained in terms of the k-dependent Fermi velocities on the Fermi surface sheets exploiting concepts from BCS theory. arXiv:1911.04163v1 [cond-mat.supr-con]

show abstract

“…large effort to develop the theoretical framework into a fully functioning method, investigating functionals [39][40][41][42], extensions [43][44][45][46] and transforming it into a useful and predictive tool in material science [23,[47][48][49][50][51][52][53][54].…”

Section: Introductionmentioning

confidence: 99%

Superconductivity in hydrogenated carbon nanostructures

et al. 2018

View full text Add to dashboard Cite

We present an application of density functional theory for superconductors to superconductivity in hydrogenated carbon nanotubes and fullerane (hydrogenated fullerene). We show that these systems are chemically similar to graphane (hydrogenated graphene) and like graphane, upon hole doping, develop a strong electron phonon coupling. This could lead to superconducting states with critical temperatures approaching 100 K, however this possibility depends crucially on if and how metallization is achieved.

show abstract

Ab initiotheory of superconductivity in a magnetic field. I. Spin density functional theory for superconductors and Eliashberg equations

Cited by 31 publications

References 56 publications

Nonempirical Calculation of Superconducting Transition Temperatures in Light‐Element Superconductors

Nonempirical Calculation of Superconducting Transition Temperatures in Light‐Element Superconductors

Gap anisotropy in multiband superconductors based on multiple scattering theory

Superconductivity in hydrogenated carbon nanostructures

Contact Info

Product

Resources

About