Year: 2023
Type: article
Abstract: We compute the electronic properties of the normal state of uncollapsed $\mathrm{La}{\mathrm{Fe}}_{2}{\mathrm{As}}_{2}$, 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 $\mathrm{Ba}{\mathrm{Fe}}_{2}{\mathrm{As}}_{2}$ family, our calculations reproduce the experimental Sommerfeld specific heat coefficient, which is twice the value predicted by uncorrelated band theory. We find that $\mathrm{La}{\mathrm{Fe}}_{2}{\mathrm{As}}_{2}$ has a reduced bare bandwidth and this solves the apparent paradox of its sizable correlations despite its nominal valence ${\mathrm{d}}^{6.5}$, which would imply extreme overdoping and uncorrelated behavior in $\mathrm{Ba}{\mathrm{Fe}}_{2}{\mathrm{As}}_{2}$. 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
Language: Latvian
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W4362471902