Comparison for various kinds of hamiltonian in graphene nanoribbon quantum transport calculation

International Conference on Simulation of Semiconductor Processes and Devices, SISPAD

Volumn , Issue , 2012, Pages 352-355

  Ding, Jikun ^a   Shao, Qiming ^a   Zhang, Jinyu ^a   Yu, Zhiping ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Defects; DFT; DFTB; EHT; Graphene nanoribbon; NEGF; Pz TB

Indexed keywords

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; GRAPHENE; GRAPHENE NANORIBBON; NANORIBBONS; QUANTUM CHEMISTRY; SEMICONDUCTOR DEVICES;

CARBON ATOMS; DENSITY FUNCTIONAL BASED TIGHT BINDINGS; GRAPHENE NANORIBBON (GNR); IV CHARACTERISTICS; NON-EQUILIBRIUM GREEN'S FUNCTION; QUANTUM TRANSPORT; TIGHT BINDING; TRANSPORT CALCULATION;

HAMILTONIANS;

EID: 84890838077     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (11)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
2. S. F. Sousa, J. Phys. Chem. A 111, 10439 (2007).
3. P. Koskinen et al., Computational Material Science, 47, 237 (2009).
4. R. Hoffmann, J. Chem. Phys. 39, 1297(1963).
5. Z. Li, et al., Phys. Rev. Lett. 100, 206802 (2008).
6. F. Ouyang, et al., J. Phys. Chem. C 114, 15578(2010).
7. Y. Hancock, et al., Phys. Rev. B 81, 245402 (2010).
8. Y. Son, et al., Phys. Rev. Lett. 97, 216803 (2006).
9. Density Functional based tight binding. http://www.dftb.org/
10. Cerda J. EHT parameters for some elements and compounds. http://www.icmm.csic.es/jcerda/
11. S. Datta, Superlattices and Microstructures, Vol. 28, No. 4, 2000.