Steffen Backes

Correlation effects in the tetragonal and collapsed-tetragonal phase of CaFe 2 As 2

We investigate the role of correlations in the tetragonal and collapsed tetragonal phases of

Hubbard band versus oxygen vacancy states in the correlated electron metal SrVO3

{\mathrm{CaFe}}_{2}{\mathrm{As}}_{2}

Electronic structure and de Haas–van Alphen frequencies in KFe2As2 within LDA+DMFT

by performing charge self-consistent DFT+DMFT (density functional theory combined with dynamical mean-field theory) calculations. While the topology of the Fermi surface is basically unaffected by the inclusion of correlation effects, we find important orbital-dependent mass renormalizations which show good agreement with recent angle-resolved photoemission experiments. Moreover, we observe a markedly different behavior of these quantities between the low-pressure tetragonal and the high-pressure collapsed tetragonal phase. We attribute these effects to the increased hybridization between the iron and arsenic orbitals as one enters the collapsed tetragonal phase.

Microscopic nature of correlations in multiorbital AFe2As2 (A = K, Rb, Cs): Hund's coupling versus Coulomb repulsion

Strong electron correlations in solids are at the heart of fascinating phenomena such as high temperature superconductivity, whose understanding remains a prominent open problem in Physics. A central prediction of dynamical mean field theory (DMFT) is the breaking of Landaus Fermi liquid, which describes extremely well simple metals like copper, into itinerant heavy quasiparticles and localized Mott-Hubbard states. To test it, electronic structure calculations based on DMFT are usually benchmarked against the photoemission spectra of SrVO

Finite temperature and pressure molecular dynamics for BaFe2As2

{}_{3}

Origin of the superconducting state in the collapsed tetragonal phase of KFe2 As2

, a cubic perovskite with one

Ab initio perspective on structural and electronic properties of iron‐based superconductors

d

Electron dichotomy on the SrTiO3 defect surface augmented by many-body effects

electron per unit cell that is considered the gold standard in this field. However, the present study shows that the UV synchrotron radiation used in the photoemission experiments creates oxygen vacancies, resulting in a strong peak of defect states essentially on top of the SrVO

Microscopic origin of the charge transfer in single crystals based on thiophene derivatives: A combined NEXAFS and density functional theory approach

{}_{3}

Superconductivity in correlated BEDT-TTF molecular conductors: Critical temperatures and gap symmetries

Hubbard band. As recent works found that the same peak of vacancy states occurs in noncorrelated wide-gap