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A comparative study of quantum transport properties of silver and copper nanowires using first principles calculations

✍ Scribed by Kharche, Neerav; Manjari, Swati R; Zhou, Yu; Geer, Robert E; Nayak, Saroj K

Book ID: 121464517
Publisher: Institute of Physics
Year: 2011
Tongue: English
Weight: 439 KB
Volume: 23
Category: Article
ISSN: 0953-8984
DOI: 10.1088/0953-8984/23/8/085501

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## Abstract LCAO and PW DFT calculations of the lattice constant, bulk modulus, cohesive energy, charge distribution, band structure, and DOS for UN single crystal are analyzed. It is demonstrated that a choice of the uranium atom relativistic effective core potentials considerably affects the band