Effect of spin fluctuations on quasiparticle excitations: first-principles theory and application to sodium and lithium

Abstract

We present first-principles calculations for quasiparticle excitations in sodium and lithium including the effects of charge and spin fluctuations. We employ the Overhauser-Kukkonen form for the electron self energy arising from spin fluctuations and demonstrate that the coupling of electrons to spin fluctuations gives an important contribution to the quasiparticle lifetime, but does not significantly reduce the occupied bandwidth. Including correlation effects beyond the random-phase approximation in the screening from charge fluctuations yields good agreement with experiment.

5 pages, 2 figures, accepted to Phys. Rev. B (Rapid Communication)

References in corpus (6)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Unconventional pairing originating from disconnected Fermi surfaces in superconducting LaFeAsO${}_{1-x}$F${}_x$}
• A Common Thread: the pairing interaction for the unconventional superconductors
• Strength of the Spin-Fluctuation-Mediated Pairing Interaction in a High-Temperature Superconductor
• Spin fluctuations and superconductivity in a 3D tight-binding model for BaFe2As2
• Quasiparticle effective mass divergence in two dimensional electron systems

Cited by in corpus (9)

• Electronic structure of Na, K, Si, and LiF from self-consistent solution of Hedin's equations including vertex corrections
• Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the $GW$ and Related Approximations
• Fully relativistic $GW$/Bethe-Salpeter calculations in BerkeleyGW: implementation, symmetries, benchmarking, and performance
• Cumulant Green's function calculations of plasmon satellites in bulk sodium: influence of screening and the crystal environment
• Vertex corrections for positive-definite spectral functions of simple metals
• First-principles theory of electron-spin fluctuation coupling and superconducting instabilities in iron selenide
• Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
• Lifetime of quasi-particles in the nearly-free electron metal Sodium
• All electron GW with linearized augmented plane waves for metals and semiconductors