Electronic transport properties of linear homocatenated indium chains
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| 024 | 7 | 0 | |a 10.1007/s00214-015-1669-8 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00214-015-1669-8 | ||
| 100 | 1 | |a Matsuura |D Yukihito |u Department of Chemical Engineering, Nara National College of Technology, Yatacho 22, 639-1080, Yamato-koriyama, Nara, Japan |4 aut | |
| 245 | 1 | 0 | |a Electronic transport properties of linear homocatenated indium chains |h [Elektronische Daten] |c [Yukihito Matsuura] |
| 520 | 3 | |a 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. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Indium chain |2 nationallicence | |
| 690 | 7 | |a σ-Conjugation |2 nationallicence | |
| 690 | 7 | |a Molecular conduction |2 nationallicence | |
| 690 | 7 | |a NEGF |2 nationallicence | |
| 690 | 7 | |a DFT |2 nationallicence | |
| 773 | 0 | |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/5(2015-05-01), 1-6 |x 1432-881X |q 134:5<1 |1 2015 |2 134 |o 214 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00214-015-1669-8 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00214-015-1669-8 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 100 |E 1- |a Matsuura |D Yukihito |u Department of Chemical Engineering, Nara National College of Technology, Yatacho 22, 639-1080, Yamato-koriyama, Nara, Japan |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/5(2015-05-01), 1-6 |x 1432-881X |q 134:5<1 |1 2015 |2 134 |o 214 | ||