Rationalizing doping and electronic correlations in LaFe${}_2$As${}_2$

Abstract

We compute the electronic properties of the normal state of uncollapsed LaFe${}_2$As${}_2$, taking into account local dynamical correlations by means of slave-spin mean-field+density-functional theory. Assuming the same local interaction strength used to model the whole electron- and hole-doped BaFe${}_2$As${}_2$ family, our calculations reproduce the experimental Sommerfeld specific heat coefficient, which is twice the value predicted by uncorrelated band theory. We find that LaFe${}_2$As${}_2$ has a reduced bare bandwidth and this solves the apparent paradox of its sizeable correlations despite its nominal valence d${}^{6.5}$, which would imply extreme overdoping and uncorrelated behaviour in BaFe${}_2$As${}_2$. Our results yield a consistent picture of the whole 122 family and point at the importance of the correlation strength, rather than sheer doping, in the interpretation of the phase diagram of iron-based superconductors

5 pages, 4 figures

References in corpus (11)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Emergence of the nematic electronic state in FeSe
• Orbital selective Mott transition in multi-band systems: slave-spin representation and dynamical mean-field theory
• Spin fluctuations and superconductivity in a 3D tight-binding model for BaFe2As2
• Fermi surface of superconducting LaFePO determined by quantum oscillations
• Strong Correlations, Strong Coupling and s-wave Superconductivity in Hole-doped BaFe2As2 Single Crystals
• Superconductivity in Uncollapsed Tetragonal LaFe2As2
• Unconventional Multi-gap Superconductivity and Antiferromagnetic Spin Fluctuations in New Iron-arsenide LaFe2As2 in Heavily Electron-doped Regime
• The uncollapsed LaFe2As2 phase: compensated, highly doped, electron-phonon coupled, iron-based superconductor
• Electronic Correlations and Absence of Superconductivity in the Collapsed Phase of LaFe${}_2$As${}_2$

Cited by in corpus (1)

• Experimental investigation of electronic interactions in collapsed and uncollapsed LaFe2As2 phases