scholarly journals An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

2014 ◽  
Vol 115 (12) ◽  
pp. 123703 ◽  
Author(s):  
Ganesh Hegde ◽  
Michael Povolotskyi ◽  
Tillmann Kubis ◽  
Timothy Boykin ◽  
Gerhard Klimeck
Keyword(s):  
Electron Transport ◽  
Tight Binding ◽  
Metallic Nanostructures ◽  
Metal Alloys ◽  
Tight Binding Model ◽  
Binding Model ◽  
Metallic Interfaces ◽  
Semi Empirical

A Tight-Binding Model for Optical Properties of Porous Silicon

1997 ◽  
Vol 491 ◽  
Author(s):  
M. Cruz ◽  
M. R. Beltran ◽  
C. Wang ◽  
J. Tagüeña-Martinez
Keyword(s):  
Optical Properties ◽  
Porous Silicon ◽  
Crystalline Silicon ◽  
Tight Binding ◽  
Basis Set ◽  
Extended Defects ◽  
Tight Binding Model ◽  
Binding Model ◽  
Semi Empirical ◽  
Good Agreement

ABSTRACTSemi-empirical tight-binding techniques have been extensively used during the last six decades to study local and extended defects as well as aperiodic systems. In this work we propose a tight-binding model capable of describing optical properties of disordered porous materials in a novel way. Besides discussing the details of this approach, we apply it to study porous silicon (p-Si). For this purpose, we use an sp3s* basis set and supercells, where empty columns are digged in the [001] direction in crystalline silicon (c-Si). The disorder of the pores is considered through a random perturbative potential, which relaxes the wave vector selection rule, resulting in a significant enlargement of the optically active k-zone. The dielectric function and the light absorption spectra are calculated. The results are compared with experimental data showing a good agreement.

ELECTRON TRANSPORT THROUGH MOLECULAR CHAINS

NANO ◽  
2007 ◽  
Vol 02 (02) ◽  
pp. 103-108 ◽  
Author(s):  
SANTANU K. MAITI
Keyword(s):  
Steady State ◽  
Electron Transport ◽  
Shot Noise ◽  
Coupling Strength ◽  
Tight Binding ◽  
Function Technique ◽  
Current Fluctuations ◽  
Tight Binding Model ◽  
Binding Model ◽  
Steady State Current

We study electron transport through molecular chains attached with two nonsuperconducting electrodes by the use of Green's function technique. Here, we do parametric calculations based on the tight-binding model to characterize the electron transport through such bridge systems and see that the transport properties are significantly affected by (a) the length of the molecular chain and (b) the molecule-to-electrode coupling strength. In this context, we also discuss the steady state current fluctuations, so-called shot noise, which is a consequence of the quantization of charge and is not directly available through conductance measurements.

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