Application of the R-matrix method in quantum transport simulations Tight-binding model

The R-matrix method based on a continuous model is generalized as to become applicable to the atomistic transport simulations with a tight-binding device Hamiltonian. The device elements are introduced as arbitrary atomic clusters in the device area and freedom in the device fragmentation can be use...

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Bibliographic Details
Published inJournal of computational electronics Vol. 9; no. 3-4; pp. 256 - 261
Main Authors Mil’nikov, Gennady, Mori, Nobuya, Kamakura, Yoshinari
Format Journal Article
LanguageEnglish
Published Boston Springer US 01.12.2010
Springer
Subjects
Applied sciences
Compound structure devices
Cross-disciplinary physics: materials science; rheology
Electrical Engineering
Electronics
Engineering
Exact sciences and technology
Materials science
Mathematical and Computational Engineering
Mathematical and Computational Physics
Mechanical Engineering
Nanoscale materials and structures: fabrication and characterization
Optical and Electronic Materials
Physics
Quantum wires
Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices
Theoretical
R-matrix
Non-equilibrium Green’s function
Metal–insulator–semiconductor structures
Electron transport theory
Performance evaluation
Vacancy
Metal-insulator-semiconductor structures
Mass storage
Roughness
MIS structure
Atomic cluster
Ballistic transport
Green function
Fragmentation
Tight binding approximation
Non equilibrium conditions
p type semiconductor
Non-equilibrium Green's function
Matrix method
Silicon
Nanowires
Transport theory
Hamiltonian
Quantum transport
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Summary:The R-matrix method based on a continuous model is generalized as to become applicable to the atomistic transport simulations with a tight-binding device Hamiltonian. The device elements are introduced as arbitrary atomic clusters in the device area and freedom in the device fragmentation can be used to reduce computations. In the ballistic regime, the best computer performance is achieved by taking individual atoms as the device elements. Non-equilibrium current carrying electronic states are constructed by the forward-backward R-matrix propagation scheme which does not require large computer operations and mass storage. The method is applied to quantum transport in p-Si nanowire with random vacancies and surface roughness.
ISSN:1569-8025
1572-8137
DOI:10.1007/s10825-010-0321-z