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Electronic transport properties of linear homocatenated indium chains

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Abstract

The electronic transport properties of linear homocatenated indium chain were estimated through first-principle calculations. Long chains comprising four or five indium atoms exhibited a large transmission peak at the Fermi level, which enhanced their conductance. This peak was caused by enhanced σ-conjugation in the indium main chain. Due to σ-conjugation, the conductance did not monotonously attenuate under tunneling upon extension of molecular length. Therefore, homocatenation in indium chains is a promising candidate for molecular conduction.

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Acknowledgments

This work was supported by JSPS Grant-in-Aid for Scientific Research (C) Grant Number 26410216.

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Authors and Affiliations

  1. Department of Chemical Engineering, Nara National College of Technology, Yatacho 22, Yamato-koriyama, Nara, 639-1080, Japan

    Yukihito Matsuura

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  1. Yukihito Matsuura
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Correspondence to Yukihito Matsuura.

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Matsuura, Y. Electronic transport properties of linear homocatenated indium chains. Theor Chem Acc 134, 64 (2015). https://doi.org/10.1007/s00214-015-1669-8

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