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Synthesis and properties of the theoretically predicted mixed-valent perovskite superconductors: CsTlX3 (X = F, Cl) | | M. Retuerto
; T. Emge
; M. R. Li
; Z. P. Yin
; M. Croft
; A. Ignatov
; P. W. Stephens
; J. Hadermann
; J. W. Simonson
; M. C. Aronson
; A. Pan
; D. N. Basov
; G. Kotliar
; M. Greenblatt
; | | Date: |
10 Feb 2013 | | Abstract: | Recently CsTlCl3 and CsTlF3 perovskites were predicted theoretically to be
potential superconductors. The synthesis of these two new compounds, together
with complete characterizations of the samples is reported for the first time.
CsTlCl3 is obtained as orange single crystals and CsTlF3 as light brown
powders. The structure of the samples was determined by electron diffraction,
synchrotron powder x-ray diffraction and single crystal x-ray diffraction.
CsTlCl3 is obtained in two different polymorphs: a tetragonal phase (space
group I4/m), similar to CsAuCl3, with Tl1+ and Tl3+ in two different
crystallographic positions, and therefore with charge ordering; CsTlCl3 was
also obtained as a cubic and less distorted phase (space group Fm-3m), also
with two different positions for Tl1+ and Tl3+. CsTlF3 was obtained as a cubic
phase with space group Fm-3m and Tl1+ and Tl3+ in two unique sites. All three
compounds are paramagnetic; according to theory, hole doping and high pressure
are required to achieve superconductivity in the CsTlX3 (X = F, Cl) cubic
perovskites. The mixed Tl1+ and Tl3+ valence has been confirmed by x-ray
absorption spectroscopy. The optical gap has been determined by spectroscopic
techniques to be ~2.5 eV, in reasonable agreement with that calculated by
first-principles density functional theory (~2.1 eV). The theoretical design
and the experimental validation of CsTlF3 and CsTlCl3 cubic perovskites is an
extraordinary starting point since, in theory, superconductivity in these
materials can be achieved in cubic phases. | | Source: | arXiv, 1302.2353 | | Services: | Forum | Review | PDF | Favorites | |
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