Electronic Structure and Lattice dynamics of NaFeAs

Abstract

The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the instability of Fe pnictides and is explained on the basis of a tight-binding model. The de Haas-van Alphen parameters for the Fermi surface (FS) of NaFeAs have been calculated. A ${\mathbf{Q}}_M=(1/2,1/2,0)$ spin density wave (SDW) instead of a charge density wave (CDW) ground state is predicted based on the calculated generalized susceptibility $\chi (\mathbf{q})$ and a criterion derived from a restricted Hatree-Fock model. The strongest electron-phonon (e-p) coupling has been found to involve only As, Na z-direction vibration with linear-response calculations. A possible enhancement mechanism for e-p coupling due to correlation is suggested.

References in corpus (15)

• Unconventional sign-reversing superconductivity in LaFeAsO_(1-x)F_x
• The superconductivity at 18 K in LiFeAs system
• LiFeAs: An Intrinsic FeAs-based Superconductor with Tc = 18K
• Strong Correlations and Magnetic Frustration in the High Tc Iron Pnictides
• Competing Orders and Spin-Density-Wave Instability in La(O${}_{1-x}$F${}_x$)FeAs
• Is LaO${}_{1-x}$F${}_x$FeAs an electron-phonon superconductor ?
• Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition
• Correlated electronic structure of LaOFeAs
• Electronic Structure and Doping in BaFe${}_2$As${}_2$ and LiFeAs: Density Functional Calculations
• Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaOFeAs
• Screened Coulomb interaction in the maximally localized Wannier basis
• Neutron Studies of the Iron-based Family of High TC Magnetic Superconductors
• Electronic Structure of Prototype AFe_2As_2 and ReOFeAs High-Temperature Superconductors: a Comparison
• Electronic Structure of New LiFeAs High-Tc Superconductor
• Theoretical investigation of magnetic order in ReOFeAs, Re = Ce, Pr

Cited by in corpus (18)

• Electronic reconstruction through the structural and magnetic transitions in detwinned NaFeAs
• Extraordinary quasiparticle scattering and bandwidth-control by dopants in iron-based superconductors
• Phonon, Two-Magnon and Electronic Raman Scattering of Fe1+yTe1-xSex
• Strong-Coupling Superconductivity in NaFe${}_{1-x}$Co${}_x$As: the Eliashberg Theory and Beyond
• Non-Fermi-liquid scattering rates and anomalous band dispersion in ferropnictides
• The upper critical field of NaFe${}_{1-x}$Co${}_x$As superconductors
• A weak-coupling superconductivity in the electron doped NaFe${}_{0.95}$Co${}_{0.05}$As is revealed by ARPES
• Tunneling spectroscopy for probing orbital anisotropy in iron pnictides
• First-Principle Wannier function analysis of the electronic structure of PdTe: Weaker magnetism and superconductivity
• Dynamical susceptibility of a near-critical non-conserved order parameter and B2g Raman response in Fe-based superconductors
• Preliminary Tc calculations for iron-based superconductivity in NaFeAs, LiFeAs, FeSe and nanostructured FeSe/SrTiO3 Superconductors
• Electronic structure, lattice dynamics and magnetism of new ThXAsN (X=Fe,Co,Ni) superconductors: A First Principles Study
• Superconductivity-induced Phonon Renormalization on NaFe${}_{1-x}$Co${}_x$As
• Contrast of LiFeAs with isostructural, isoelectronic, and non-superconducting MgFeGe
• Combined resistivity and Hall effect study on NaFe${}_{1-x}$Rh${}_x$As single crystals
• The antiferromagnetic and phonon-mediated model of the NaFeAs, LiFeAs and FeSe superconductors
• The interactions between antiferromagnetism, tetrahedral sites and electron-phonon coupling in FeSe1-xTex and FeSe/SrTiO3
• The influence of antiferromagnetism, soft out-of plane phonons and heavy electrons on the superconducting pairing mechanism of Ba1-xKxFe2As2