Influence of Electronic Correlations on Electron-Phonon Interactions of Molecular Systems with the GW and Coupled Cluster Methods.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.4c00327
Abstract: Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isolated examples of materials and molecular systems have emerged where electron-phonon coupling… read more here.
Keywords: chemistry; electron phonon; coupled cluster; electronic correlations ... See more keywords
Momentum-Resolved Electronic Structures and Strong Electronic Correlations in Graphene-like Nitride Superconductors.
Sign Up to like & getrecommendations! Published in 2024 at "Nano letters"
DOI: 10.1021/acs.nanolett.4c01704
Abstract: Although transition-metal nitrides have been widely applied for several decades, experimental investigations of their high-resolution electronic band structures are rare due to the lack of high-quality single-crystalline samples. Here, we report on the first momentum-resolved… read more here.
Keywords: spectroscopy; momentum resolved; resolved electronic; electronic structures ... See more keywords
Interplay between disorder and electronic correlations in compositionally complex alloys
Sign Up to like & getrecommendations! Published in 2024 at "Nature Communications"
DOI: 10.1038/s41467-024-52349-8
Abstract: Owing to their exceptional mechanical, electronic, and phononic transport properties, compositionally complex alloys, including high-entropy alloys, represent an important class of materials. However, the interplay between chemical disorder and electronic correlations, and its influence on… read more here.
Keywords: correlations compositionally; compositionally complex; electronic correlations; disorder electronic ... See more keywords
Optical properties and electronic correlations in La3Ni2O7 bilayer nickelates under high pressure
Sign Up to like & getrecommendations! Published in 2024 at "npj Quantum Materials"
DOI: 10.1038/s41535-024-00690-y
Abstract: We explore the optical properties of La3Ni2O7 bilayer nickelates by using density functional theory including a Coulomb repulsion term. Convincing agreement with recent experimental ambient-pressure spectra is achieved for U ~ 3 eV, which permits tracing the microscopic… read more here.
Keywords: pressure; bilayer nickelates; electronic correlations; la3ni2o7 bilayer ... See more keywords
Electronic correlations in nodal-line semimetals
Sign Up to like & getrecommendations! Published in 2020 at "Nature Physics"
DOI: 10.1038/s41567-020-0859-z
Abstract: Dirac fermions with highly dispersive linear bands 1 – 3 are usually considered weakly correlated due to the relatively large bandwidths ( W ) compared to Coulomb interactions ( U ). With the discovery of… read more here.
Keywords: line; correlations nodal; line semimetals; nodal line ... See more keywords
Suppression of thermal conductivity and electronic correlations in Fe1−xRuxSb2 (0 ≤ x ≤ 0.6)
Sign Up to like & getrecommendations! Published in 2021 at "Applied Physics Letters"
DOI: 10.1063/5.0046779
Abstract: We present simultaneous suppression of FeSb2 thermal conductivity and electronic correlations in Fe1−xRuxSb2 (0 ≤ x ≤ 0.6) single crystal alloys. Small energy gap Δ 1 in Kondo-insulator-like semiconductor FeSb2 associated with impurity in-gap state increases… read more here.
Keywords: thermal conductivity; electronic correlations; conductivity; fe1 xruxsb2 ... See more keywords
Electronic correlations and magnetic interactions in infinite-layer NdNiO2
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.102.241112
Abstract: Vamshi M. Katukuri, ∗ Nikolay A. Bogdanov, Oskar Weser, Jeroen van den Brink, 3 and Ali Alavi 4, † Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany IFW Dresden, Helmholtzstrasse 20,… read more here.
Keywords: infinite layer; layer ndnio2; interactions infinite; magnetic interactions ... See more keywords
Spin-orbit and anisotropic strain effects on the electronic correlations in Sr 2 RuO 4
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.98.085121
Abstract: We present an implementation of the rotationally invariant slave boson technique as an impurity solver for density functional theory plus dynamical mean field theory (DFT+DMFT). Our approach provides explicit relations between quantities in the local… read more here.
Keywords: electronic correlations; anisotropic strain; spin orbit; correlations ruo ... See more keywords