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Studies of Electronic Structure across a Quantum Phase Transition in CeRhSb_(1-x)Sn_x

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arxiv 1910.07967 v2 pith:AHXQD5YR submitted 2019-10-17 cond-mat.str-el

Studies of Electronic Structure across a Quantum Phase Transition in CeRhSb_(1-x)Sn_x

classification cond-mat.str-el
keywords fermibandcalculationslevelstructurecerhsbcontentdensity
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We study an electronic structure of CeRhSb$_{1-x}$Sn$_x$ system, which displays quantum critical transition from a Kondo insulator to a non-Fermi liquid at $x=0.13$. We provide ultraviolet photoelectron spectra of valence band obtained at 12.5 K. Acoherent peak at the Fermi level is not present in the data, but a signal related to 4f$^1$$_{7/2}$ final state is detected. Spectral intensity at the Fermi edge has a general tendency to grow with Sn content. Theoretical calculations of band structure are realized with full-potential local-orbital minimum-basis code using scalar relativistic and full relativistic approach. The calculations reveal a depletion of density of states at the Fermi level for CeRhSb. This gap is shifted above the Fermi energy with increasing Sn content and thus a rise of density of states at the Fermi level is reflected in the calculations. It agrees with metallic properties of compounds with larger $x$. The calculations also yield another important effects of Sn substitution. Band structure is displaced in a direction corresponding to hole doping, although with deviations from a rigid band shift scenario. Lifshitz transitions modify a topology of the Fermi surface a few times and a number of bands crossing the Fermi level increases.

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