Theory of quasiparticle spectra for Fe, Co, and Ni: bulk and surface
Alexei Grechnev, Igor Di Marco, M. I. Katsnelson, A. I. Lichtenstein, John Wills, Olle Eriksson
Abstract
The correlated electronic structure of iron, cobalt and nickel is investigated within the dynamical mean-field theory formalism, using the newly developed full-potential LMTO-based LDA+DMFT code. Detailed analysis of the calculated electron self-energy, density of states and the spectral density are presented for these metals. It has been found that all these elements show strong correlation effects for majority spin electrons, such as strong damping of quasiparticles and formation of a density of states satellite at about -7 eV below the Fermi level. The LDA+DMFT data for fcc nickel and cobalt (111) surfaces and bcc iron (001) surface is also presented. The electron self energy is found to depend strongly on the number of nearest neighbors, and it practically reaches the bulk value already in the second layer from the surface. The dependence of correlation effects on the dimensionality of the problem is also discussed.
Create a lesson
Related papers
Metallogenic quantum criticality: Fermi surface nucleation at transitions between gapped phases
Zhengyan Darius Shi
Exact Stiffness and Dynamical Responses from Fock-Space Fragmentation
Jonah Herzog-Arbeitman, Eslam Khalaf, Zhaoyu Han
A continuous confinement-deconfinement transition in a triangular quantum magnet
Suguru Hosoi, Sejun Park, Michihiro Hirata et al.
Multi-orbital physics in inverse Lieb lattice altermagnets
Mercè Roig, Jannik Gondolf, Andreas Kreisel et al.
3D- (H-theta-phi) magnetic phase diagram of antiferromagnetic metal GdB6 with electron and lattice instability
A. N. Azarevich, A. V. Bogach, T. F. Garipova et al.
Interlayer-engineering of Charge Order Wave Vector in Kagome Metals
Muntafa M. Mahi, Quazi D. M. Khosru, M. Zahid Hasan et al.