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Title: Tunnel current across linear homocatenated germanium chains

The electronic transport properties of germanium oligomers catenating into linear chains (linear Ge chains) have been theoretically studied using first principle methods. The conduction mechanism of a Ge chain sandwiched between gold electrodes was analyzed based on the density of states and the eigenstates of the molecule in a two-probe environment. Like that of silicon chains (Si chains), the highest occupied molecular orbital of Ge chains contains the extended σ-conjugation of Ge 4p orbitals at energy levels close to the Fermi level; this is in contrast to the electronic properties of linear carbon chains. Furthermore, the conductance of a Ge chain is expected to decrease exponentially with molecular length L. The decay constant β, which is defined as e{sup −βL}, of a Ge chain is similar to that of a Si chain, whereas the conductance of the Ge chains is higher than that of Si chains even though the Ge–Ge bond length is longer than the Si–Si bond length.
Authors:
 [1]
  1. Department of Chemical Engineering, Nara National College of Technology Yatacho 22, Yamato-koriyama, Nara 539-1080 (Japan)
Publication Date:
OSTI Identifier:
22275663
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BOND LENGTHS; CARBON; EIGENSTATES; ELECTRIC CONDUCTIVITY; ELECTRIC CURRENTS; ENERGY-LEVEL DENSITY; FERMI LEVEL; GERMANIUM; GOLD; MOLECULAR ORBITAL METHOD; SILICON