Correlated electronic structure of colossal thermopower FeSb2 : An ARPES and ab initio study

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

  • A. Chikina
  • W. H. Brito
  • S. Choi
  • P. Semon
  • A. Kutepov
  • Q. Du
  • J. Jandke
  • H. Liu
  • N.C. Plumb
  • M. Shi
  • C. Petrovic
  • M. Radovic
  • G. Kotliar

Detail(s)

Original languageEnglish
Article number023190
Journal / PublicationPhysical Review Research
Volume2
Issue number2
Online published19 May 2020
Publication statusPublished - May 2020
Externally publishedYes

Link(s)

Abstract

Iron antimonide (FeSb2) with peculiar colossal thermopower of about −45 mV/K at 10 K is a mysterious material, and a unified microscopic description of this phenomenon is far from being achieved. Combining angle- resolved photoemission spectroscopy (ARPES) and ab initio calculations, we find that the intricate electronic structure of FeSb2 consists of two bands near the Fermi energy: the weakly dispersing strongly renormalized α band and the holelike β band that intersect at Γ and Y points of the Brillouin zone. In addition, we found the surface state originated from the bulk β band. While both bulk bands upshift towards the Fermi level upon raising of the temperature, the weakly dispersing surface states vanish above 100 K. The structural distortions and/or a mixture of the localized low-spin state with the delocalized high-spin state populated with temperature could be responsible for this temperature dependence. Our study reveals that the sizable renormalization of the nondispersing α band and the hybridization with the holelike β band cause the local increase of the density of states, consequently raising the colossal thermopower in FeSb2.

Research Area(s)

Citation Format(s)

Correlated electronic structure of colossal thermopower FeSb2 : An ARPES and ab initio study. / Chikina, A.; Ma, J.-Z.; Brito, W. H.; Choi, S.; Semon, P.; Kutepov, A.; Du, Q.; Jandke, J.; Liu, H. ; Plumb, N.C. ; Shi, M.; Petrovic, C.; Radovic, M.; Kotliar, G.

In: Physical Review Research, Vol. 2, No. 2, 023190, 05.2020.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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