Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications
H Ebert, D Koedderitzsch, J Minar - Reports on Progress in …, 2011 - iopscience.iop.org
The modern version of the KKR (Korringa–Kohn–Rostoker) method represents the
electronic structure of a system directly and efficiently in terms of its single-particle Green's …
electronic structure of a system directly and efficiently in terms of its single-particle Green's …
Correlation, temperature and disorder: Recent developments in the one-step description of angle-resolved photoemission
J Braun, J Minár, H Ebert - Physics Reports, 2018 - Elsevier
Various apparative developments extended the potential of angle-resolved photoemission
spectroscopy tremendously during the last two decades. Modern experimental …
spectroscopy tremendously during the last two decades. Modern experimental …
Double counting in LDA+ DMFT—The example of NiO
An intrinsic issue of the LDA+ DMFT approach is the so called double counting of interaction
terms. How to choose the double-counting potential in a manner that is both physically …
terms. How to choose the double-counting potential in a manner that is both physically …
Probing bulk electronic structure with hard X-ray angle-resolved photoemission
Traditional ultraviolet/soft X-ray angle-resolved photoemission spectroscopy (ARPES) may
in some cases be too strongly influenced by surface effects to be a useful probe of bulk …
in some cases be too strongly influenced by surface effects to be a useful probe of bulk …
Bulk electronic structure of the dilute magnetic semiconductor Ga1−xMnxAs through hard X-ray angle-resolved photoemission
A detailed understanding of the origin of the magnetism in dilute magnetic semiconductors is
crucial to their development for applications. Using hard X-ray angle-resolved …
crucial to their development for applications. Using hard X-ray angle-resolved …
Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results
We present lattice constants and cohesive energies of alkali, alkaline earth, and transition
metals using the correlation energy evaluated within the adiabatic-connection fluctuation …
metals using the correlation energy evaluated within the adiabatic-connection fluctuation …
Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni
A Grechnev, I Di Marco, MI Katsnelson… - Physical Review B …, 2007 - APS
The correlated quasiparticle band structure of iron, cobalt, and nickel is investigated within
the dynamical mean-field theory formalism using the recently developed full-potential linear …
the dynamical mean-field theory formalism using the recently developed full-potential linear …
Interplay between disorder and electronic correlations in compositionally complex alloys
Owing to their exceptional mechanical, electronic, and phononic transport properties,
compositionally complex alloys, including high-entropy alloys, represent an important class …
compositionally complex alloys, including high-entropy alloys, represent an important class …
Coulomb correlations in 4d and 5d oxides from first principles—or how spin–orbit materials choose their effective orbital degeneracies
C Martins, M Aichhorn, S Biermann - Journal of Physics …, 2017 - iopscience.iop.org
The interplay of spin–orbit coupling and Coulomb correlations has become a hot topic in
condensed matter theory and is especially important in 4d and 5d transition metal oxides …
condensed matter theory and is especially important in 4d and 5d transition metal oxides …
Calculated phonon spectra of paramagnetic iron at the - phase transition
I Leonov, AI Poteryaev, VI Anisimov, D Vollhardt - Physical Review B …, 2012 - APS
We compute lattice dynamical properties of iron at the bcc-fcc phase transition using
dynamical mean-field theory implemented with the frozen-phonon method. Electronic …
dynamical mean-field theory implemented with the frozen-phonon method. Electronic …