Unoccupied electronic states in NiS2-xSex across the metal-insulator transition

Phys. Rev. B 57, 6984 – Published 15 March 1998
D. D. Sarma, M. Pedio, M. Capozi, A. Girycki, Nirmala Chandrasekharan, N. Shanthi, S. R. Krishnakumar, C. Ottaviani, C. Quaresima, and P. Perfetti

Abstract

We investigate the evolution of the electronic structure across the insulator-metal transition in NiS2-xSex with changing composition, but in the absence of any structural or magnetic changes. A comparison of the inverse photoemission spectra with band-structure calculations establishes the importance of correlation effects in these systems. Systematic changes in the spectral distribution establish the persistence of the upper Hubbard band well into the metallic regime, with the insulator-to-metal transition being driven by a transfer of spectral weight from the Hubbard band to states close to the Fermi energy.

DOI: http://dx.doi.org/10.1103/PhysRevB.57.6984

  • Received 17 October 1997
  • Published in the issue dated 15 March 1998

© 1998 The American Physical Society

Authors & Affiliations

D. D. Sarma*

  • Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India

M. Pedio, M. Capozi, and A. Girycki

  • Istituto di Struttura della Materia, via Fosso del Cavaliere, I-00133, Italy

Nirmala Chandrasekharan, N. Shanthi, and S. R. Krishnakumar

  • Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India

C. Ottaviani, C. Quaresima, and P. Perfetti

  • Istituto di Struttura della Materia, via Fosso del Cavaliere, I-00133, Italy

  • *Also at Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India. Electronic address: sarma@sscu.iisc.ernet.in

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