Abstract

We present an efficient approach to describe the electronic transport properties of extended systems. The method is based on the surface Green's function matching formalism and combines the iterative calculation of transfer matrices with the Landauer formula for the coherent conductance. The scheme is applicable to any general Hamiltonian that can be described within a localized orbital basis. As illustrative examples, we calculate transport properties for various ideal and mechanically deformed carbon nanotubes using realistic orthogonal and nonorthogonal tight-binding models. In particular, we observe that bent carbon nanotubes maintain their basic electrical properties even in the presence of large mechanical deformations.

Keywords

Carbon nanotubeHamiltonian (control theory)Formalism (music)Bent molecular geometryConductanceTight bindingPhysicsMaterials scienceElectronic structureStatistical physicsNanotechnologyQuantum mechanicsCondensed matter physicsMathematics

Affiliated Institutions

Related Publications

Electronic structure of graphene tubules based on<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

The electronic structures of some possible carbon fibers nucleated from the hemisphere of a ${\mathrm{C}}_{60}$ molecule are presented. A one-dimensional electronic band-structu...

1992 Physical review. B, Condensed matter 1393 citations

Efficient<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>DFT</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>calculations of ballistic electron transport: Application to Au monatomic chains with a CO impurity

An efficient method for computing the Landauer-Buttiker conductance of an open quantum system within DFT + U is presented. The Hubbard potential is included in electronic-struct...

2013 Physical Review B 19 citations

Publication Info

Year
1999
Type
article
Volume
60
Issue
11
Pages
7828-7833
Citations
487
Access
Closed

External Links

Social Impact

Social media, news, blog, policy document mentions

Citation Metrics

487
OpenAlex

Cite This

Marco Buongiorno Nardelli (1999). Electronic transport in extended systems: Application to carbon nanotubes. Physical review. B, Condensed matter , 60 (11) , 7828-7833. https://doi.org/10.1103/physrevb.60.7828

Identifiers

DOI
10.1103/physrevb.60.7828