Electronic and Lattice Structures of a Se-Te Alloyed Chain

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概要

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• We study the electronic and lattice structures of a single chaic? of randomly alloyedSe and Te (Se. .Te...) by an INDO type semi-empirical model. l'he model explains theTe concentration dependences of the gap and the mean bond lengths observed inSe. .Te. enclosed in channels of mordenite. The gap decreased with x because Te haslone pair levels higher than thc>se of Se though their o' levels are nearly at the samepositions. The Se-Se and Sc:-Te mean bond lengths are increased by the intramolecular charge transfer from the lone pairs of the adjacent Te to the o' orbitalsof these bonds. The polarization effect of the o boutd due to adjacent Se contributespartly to the observed increase in the quadrupole splitting in "'Te M6ssbauer spectrum.

• 社団法人日本物理学会の論文
• 1990-11-15

著者

• Fukutome Hideo

  Department Of Physics Faculty Of Science Kyoto University

• IKAWA Atsushi

  Department of Physics,Kyoto University

• Ikawa Atsushi

  Department Of Chemistry Graduate School Of Science Kyoto University

• FUKUMOTO Hideo

  Department of Physics,Kyoto University

• Fukumoto Hideo

  Department Of Physics Kyoto University

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