DFT+ ς2 method for electron correlation effects at transition metal surfaces

DFT+ ς2 method for electron correlation effects at transition metal surfaces

We present a computational approach for electronically correlated metallic surfaces and interfaces, which combines density functional and dynamical mean-field theory using a multiorbital perturbative solver for the many-body problem. Our implementation is designed to describe ferromagnetic metallic...

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Bibliographic Details
Main Authors: Chioncel, L. (Author), Droghetti, A. (Author), Halder, A. (Author), Radonjić, M.M (Author), Rungger, I. (Author)
Format: Article
Language:English
Published: American Physical Society 2022
Subjects:
Acoustooptical devices
Computation theory
Computational approach
Density functional theory
Density functionals
Dynamical mean-field theory
Electron correlation effect
Ferromagnetic metallic
Many-body problems
Mean field theory
Metal nanoparticles
Metallic interfaces
Metallic surface
Nanomagnetics
Surfaces and interfaces
Transition metal surfaces
Transition metals
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