Crystal growth of Tl4CdI6

A wide band gap semiconductor for hard radiation detection

Shichao Wang, Zhifu Liu, John A. Peters, Maria Sebastian, Sandy L. Nguyen, Christos D. Malliakas, Constantinos C. Stoumpos, Jino Im, Arthur J Freeman, Bruce W. Wessels, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

We report the synthesis, physical characterization, and crystal growth of Tl4CdI6. We show that this material has good photoconductivity and is a promising semiconductor for room temperature X-ray and γ-ray detection. Large single crystals were grown by the vertical Bridgman method and cut to dimensions appropriate for detector testing. Single crystal X-ray diffraction refinements confirm that Tl4CdI6 crystallizes in the tetragonal crystal system with a centrosymmetric space group of P4/mnc, with a calculated density of 6.87 g/cm3. Thermal analysis and high-temperature synchrotron powder diffraction studies were used to determine phase relationships and crystallization behavior during crystal growth. We have elucidated the reason for different colors encountered when synthesizing or growing single crystals of Tl4CdI6 (yellow, red, and black), and it is the presence of a small amount of TlI impurity. We report proper crystal growth conditions to obtain essentially pure yellow Tl4CdI6 crystals. The material having the yellow color has a band gap of 2.8 eV. First-principles density functional theory calculations indicate a direct band gap at the point of the Brillouin zone. The Tl4CdI6 crystals have a resistivity of 1010 ω·cm. Photoconductivity measurements on the as-grown crystals show mobility-lifetime product on the order of 10-4 cm2/V for both electrons and holes. The promising detector properties of this material are confirmed by preliminary measurements showing a clear spectral response to an Ag X-ray source, which classifies Tl4CdI6 as an emerging material for radiation detection.

Original languageEnglish
Pages (from-to)2401-2410
Number of pages10
JournalCrystal Growth and Design
Volume14
Issue number5
DOIs
Publication statusPublished - May 7 2014

Fingerprint

Crystallization
Crystal growth
crystal growth
broadband
Radiation
Crystals
Photoconductivity
Single crystals
radiation
photoconductivity
crystals
single crystals
Energy gap
Color
Detectors
color
X rays
Crystal growth from melt
x rays
Bridgman method

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Wang, S., Liu, Z., Peters, J. A., Sebastian, M., Nguyen, S. L., Malliakas, C. D., ... Kanatzidis, M. G. (2014). Crystal growth of Tl4CdI6: A wide band gap semiconductor for hard radiation detection. Crystal Growth and Design, 14(5), 2401-2410. https://doi.org/10.1021/cg5001446

Crystal growth of Tl4CdI6 : A wide band gap semiconductor for hard radiation detection. / Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J; Wessels, Bruce W.; Kanatzidis, Mercouri G.

In: Crystal Growth and Design, Vol. 14, No. 5, 07.05.2014, p. 2401-2410.

Research output: Contribution to journalArticle

Wang, S, Liu, Z, Peters, JA, Sebastian, M, Nguyen, SL, Malliakas, CD, Stoumpos, CC, Im, J, Freeman, AJ, Wessels, BW & Kanatzidis, MG 2014, 'Crystal growth of Tl4CdI6: A wide band gap semiconductor for hard radiation detection', Crystal Growth and Design, vol. 14, no. 5, pp. 2401-2410. https://doi.org/10.1021/cg5001446
Wang S, Liu Z, Peters JA, Sebastian M, Nguyen SL, Malliakas CD et al. Crystal growth of Tl4CdI6: A wide band gap semiconductor for hard radiation detection. Crystal Growth and Design. 2014 May 7;14(5):2401-2410. https://doi.org/10.1021/cg5001446
Wang, Shichao ; Liu, Zhifu ; Peters, John A. ; Sebastian, Maria ; Nguyen, Sandy L. ; Malliakas, Christos D. ; Stoumpos, Constantinos C. ; Im, Jino ; Freeman, Arthur J ; Wessels, Bruce W. ; Kanatzidis, Mercouri G. / Crystal growth of Tl4CdI6 : A wide band gap semiconductor for hard radiation detection. In: Crystal Growth and Design. 2014 ; Vol. 14, No. 5. pp. 2401-2410.
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