Energy band structure and optical response function of icosahedral B(12)As(2): A spectroscopic ellipsometry and first-principles calculational study

SD Bakalova-Hadjikrasteva, C Cobet, N Esser, Y Zhang, JH Edgar, Y Zhang, M Dudley, M Kuball

Research output: Contribution to journalArticle (Academic Journal)peer-review

19 Citations (Scopus)

Abstract

An experimental and theoretical study on the dielectric-response function of icosahedral B(12)As(2) in the spectral region between 1.24 and 9.8 eV is presented. Comprehensive experimental information on the energy band structure from the analysis of features in the optical dispersion was complemented by spin-orbit first-principles calculations. The lowest indirect band gap width is 3.2 eV; the two lowest direct interband transitions are at 3.46 and 3.9 eV. High-energy critical points are assigned to specific electron transitions in the Brillouin zone and their dimensionality was determined. The static dielectric constant of B(12)As(2) is uniaxially anisotropic with values of 7.84 and 9.02 for polarization perpendicular and parallel to the trigonal axis. Hole and electron effective masses are derived from the band dispersions.
Translated title of the contributionEnergy band structure and optical response function of icosahedral B(12)As(2): A spectroscopic ellipsometry and first-principles calculational study
Original languageEnglish
Pages (from-to)075114 - 075114
Number of pages10
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume81
DOIs
Publication statusPublished - Feb 2010

Structured keywords

  • CDTR

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