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• W2308687068 abstract "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−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." @default.
• W2308687068 created "2016-06-24" @default.
• W2308687068 creator A5072732319 @default.
• W2308687068 date "2014-01-23" @default.
• W2308687068 modified "2023-09-27" @default.
• W2308687068 title "Tunnel current across linear homocatenated germanium chains" @default.
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• W2308687068 doi "https://doi.org/10.1063/1.4863118" @default.
• W2308687068 hasPublicationYear "2014" @default.
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