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Electronic Instability in a Zero-Gap Semiconductor: the Charge-Density Wave in (TaSe4)2I

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arxiv 1303.5551 v1 pith:MWEQZ23A submitted 2013-03-22 cond-mat.str-el

Electronic Instability in a Zero-Gap Semiconductor: the Charge-Density Wave in (TaSe4)2I

C. Tournier-Colletta , L. Moreschini , G. Aut\`es , S. Moser , A. Crepaldi , H. Berger , A. L. Walter , K. S. Kim
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A. Bostwick P. Monceau E. Rotenberg O. V. Yazyev M. Grioni
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classification cond-mat.str-el
keywords arpescouplingelectronicformationinterchainsemiconductorstructuretase4
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We report a comprehensive study of the paradigmatic quasi-1D compound (TaSe4)2I performed by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles electronic structure calculations. We find it to be a zero-gap semiconductor in the non-distorted structure, with non-negligible interchain coupling. Theory and experiment support a Peierls-like scenario for the CDW formation below T_CDW = 263 K, where the incommensurability is a direct consequence of the finite interchain coupling. The formation of small polarons, strongly suggested by the ARPES data, explains the puzzling semiconductor-to-semiconductor transition observed in transport at T_CDW.

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