Ab initio quantum transport calculations using plane waves
نویسندگان
چکیده
منابع مشابه
Finite-size modelling of electrodes for quantum transport calculations using k-space ab initio techniques
Article history: Received 26 October 2009 Accepted 2 December 2009 We present an efficient and easy-to-use numerical treatment to check the necessary size of metallic leads with respect to their quantum-transport properties. The suggested method works entirely in kspace and avoids complicated projections of ab initio band structures onto real-space tight-binding-like Hamiltonians. As an illustr...
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ژورنال
عنوان ژورنال: Progress in Surface Science
سال: 2015
ISSN: 0079-6816
DOI: 10.1016/j.progsurf.2015.05.002