Formalism, analytical model, and a priori Green’s-function-based calculations of the current–voltage characteristics of molecular wires

2000 ◽  
Vol 112 (3) ◽  
pp. 1510-1521 ◽  
Author(s):  
Lachlan E. Hall ◽  
Jeffrey R. Reimers ◽  
Noel S. Hush ◽  
Kia Silverbrook
Keyword(s):  
Green’S Function ◽  
Analytical Model ◽  
Green's Function ◽  
A Priori ◽  
Molecular Wires ◽  
Current Voltage ◽  
Current Voltage Characteristics

scholarly journals Development of Quantum Simulator for Emerging Nanoelectronics Devices

2012 ◽  
Vol 2012 ◽  
pp. 1-10
Author(s):  
Dinh Sy Hien
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Field Effect ◽  
Field Effect Transistor ◽  
Graphic User Interface ◽  
Quantum Devices ◽  
Tunneling Diode ◽  
Quantum Device ◽  
Current Voltage ◽  
Effect Transistor

We have developed NEMO-VN2, a new quantum device modeling tool that simulates a wide variety of quantum devices including the resonant tunneling diode, the single electron transistor, the molecular field effect transistor, the carbon nanotube field effect transistor, and the spin field effect transistor. In this work the nonequilibrium Green’s function is used to perform a comprehensive study of the emerging nanoelectronics devices. The program has been written by using graphic user interface of Matlab. NEMO-VN2 uses Matlab to solve Schrodinger equation to get current-voltage characteristics of quantum devices. In the paper, we present a short overview of the theoretical methodology using non-equilibrium Green’s function for modeling of various quantum devices and typical simulations used to illustrate the capabilities of the NEMO-VN2.

Temperature dependent analytical model for current–voltage characteristics of AlGaN/GaN power HEMT

2009 ◽  
Vol 53 (3) ◽  
pp. 341-348 ◽  
Author(s):  
M.A. Huque ◽  
S.A. Eliza ◽  
T. Rahman ◽  
H.F. Huq ◽  
S.K. Islam
Keyword(s):  
Analytical Model ◽  
Temperature Dependent ◽  
Current Voltage ◽  
Current Voltage Characteristics

THE EFFECT OF METAL-MOLECULE NANO-CONTACTS WITH DIFFERENT END GROUPS IN MOLECULAR ELECTRONICS

2009 ◽  
Vol 23 (30) ◽  
pp. 5657-5669 ◽  
Author(s):  
SEIFOLLAH JALILI ◽  
ABDOLHAKIM PANGH
Keyword(s):  
Electron Transport ◽  
Molecular Electronics ◽  
Atomic System ◽  
Transmission Function ◽  
Molecular Wires ◽  
Atomic Systems ◽  
Current Voltage ◽  
Electron Transport Properties ◽  
Current Voltage Characteristics ◽  
Function Density

We investigated the electron transport properties of thiophen-bithiol-based molecular wires through atomic metal–thiophen–metal systems using the first principle methods. Various metal–thiophen–metal atomic systems are constructed with different end atoms (S, Se, and Te). The electron transport of the atomic system is systematically studied by analysis of transmission function, density of states, and current–voltage characteristics of the systems.

scholarly journals Calculation of CO adsorption capacity of single iron(II)- porphyrin and related electron transfer behavior by DFT theory

2020 ◽  
Author(s):  
Placido G. Mineo
Keyword(s):  
Density Functional ◽  
Co Adsorption ◽  
Molecular Wires ◽  
Molecular Wire ◽  
Dft Theory ◽  
Functional Theory ◽  
Current Voltage ◽  
End Groups ◽  
Transfer Behavior ◽  
Current Voltage Characteristics

The effect of CO adsorption on the electron transport behavior of single iron(II)-porphyrin molecular wire with sulfur end groups bonded to two gold electrodes isinvestigated using nonequilibrium Green's function formalism combined with firstprinciples density functional theory. The current-voltage characteristics of the singleFe-porphyrin molecular wires with and without CO adsorption are calculated. Theresults demonstrate that Fe-porphyrin molecular wire shows a negative differentialresistance (NDR) at 2.0 V

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