O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube - metal contacts

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Article on O(N) real-space method for ab initio quantum transport calculations and application to carbon nanotube-metal contacts.

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5 p.

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Buongiorno Nardelli, Marco; Fattebert, Jean-luc & Bernholc, Jerry December 10, 2001.

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Article on O(N) real-space method for ab initio quantum transport calculations and application to carbon nanotube-metal contacts.

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5 p.

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Copyright 2001 American Physical Society. The following article appeared in Physical Review B, 64, http://link.aps.org/doi/10.1103/PhysRevB.64.245423

Abstract: We present an ab initio O(N) method that combines an accurate optimized-orbital solution of the electronic structure problem with an efficient Green's function technique for evaluating the quantum conductance. As an important illustrative example, we investigate carbon nanotube-metal contacts and explain the anomalously large contact resistance observed in nanotube devices as due to the spatial separation of their conductance eigenchannels. The results for various contact geometries and strategies for improving device performance are discussed.

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  • Physical Review B, 2001, College Park: American Physical Society

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  • Publication Title: Physical Review B
  • Volume: 64
  • Issue: 24
  • Pages: 5
  • Peer Reviewed: Yes

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  • December 10, 2001

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  • Nov. 22, 2013, 10:18 a.m.

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  • April 2, 2014, 4:11 p.m.

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Buongiorno Nardelli, Marco; Fattebert, Jean-luc & Bernholc, Jerry. O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube - metal contacts, article, December 10, 2001; [College Park, Maryland]. (digital.library.unt.edu/ark:/67531/metadc234920/: accessed October 24, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.