Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8

Karl Rickert, Eric A. Pozzi, Rabi Khanal, Masatoshi Onoue, Giancarlo Trimarchi, Julia E. Medvedeva, Mark C Hersam, Richard P. Van Duyne, Kenneth R Poeppelmeier

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Mn3Ta2O8, a stable targeted material with an unusual and complex cation topology in the complicated Mn-Ta-O phase space, has been grown as a ≈3-cm-long single crystal via the optical floating-zone technique. Single-crystal absorbance studies determine the band gap as 1.89 eV, which agrees with the value obtained from density functional theory electronic-band-structure calculations. The valence band consists of the hybridized Mn d-O p states, whereas the bottom of the conduction band is formed by the Ta d states. Furthermore, out of the three crystallographically distinct Mn atoms that are four-, seven-, or eight-coordinate, only the former two contribute their states near the top of the valence band and hence govern the electronic transitions across the band gap. (Graph Presented).

Original languageEnglish
Pages (from-to)6513-6519
Number of pages7
JournalInorganic Chemistry
Volume54
Issue number13
DOIs
Publication statusPublished - Jul 6 2015

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Crystallization
Valence bands
crystal growth
Energy gap
Single crystals
Electron transitions
Conduction bands
electronics
Band structure
Density functional theory
Cations
Topology
Atoms
valence
single crystals
floating
conduction bands
topology
density functional theory
cations

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8. / Rickert, Karl; Pozzi, Eric A.; Khanal, Rabi; Onoue, Masatoshi; Trimarchi, Giancarlo; Medvedeva, Julia E.; Hersam, Mark C; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.

In: Inorganic Chemistry, Vol. 54, No. 13, 06.07.2015, p. 6513-6519.

Research output: Contribution to journalArticle

Rickert, K, Pozzi, EA, Khanal, R, Onoue, M, Trimarchi, G, Medvedeva, JE, Hersam, MC, Van Duyne, RP & Poeppelmeier, KR 2015, 'Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8', Inorganic Chemistry, vol. 54, no. 13, pp. 6513-6519. https://doi.org/10.1021/acs.inorgchem.5b00853
Rickert K, Pozzi EA, Khanal R, Onoue M, Trimarchi G, Medvedeva JE et al. Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8. Inorganic Chemistry. 2015 Jul 6;54(13):6513-6519. https://doi.org/10.1021/acs.inorgchem.5b00853
Rickert, Karl ; Pozzi, Eric A. ; Khanal, Rabi ; Onoue, Masatoshi ; Trimarchi, Giancarlo ; Medvedeva, Julia E. ; Hersam, Mark C ; Van Duyne, Richard P. ; Poeppelmeier, Kenneth R. / Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8. In: Inorganic Chemistry. 2015 ; Vol. 54, No. 13. pp. 6513-6519.
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