Title :
Automistic modeling of direct tunnelling in metal-oxide-semiconductor nanostructures
Author :
Liu, Lei ; Waldron, Derek ; Timochevski, Vladimir ; Guo, Hong
Author_Institution :
Dept. of Phys., McGill Univ., Montreal, Que.
Abstract :
The authors report an atomistic modeling formalism and its associated software tool for simulating nonlinear and nonequilibrium charge transport in nanostructures from quantum mechanical first principles. This formalism is based on carrying out density functional theory (DFT) within the Keldysh nonequilibrium Green´s function (NEGF) framework. The authors have calculated tunnelling current in metal-SiO 2-nSi MOS structures from atomic point of view using the NEGF-DFT approach and compare our results to those obtained by traditional tunnelling formula and identify a number of important issues to be resolved toward establishing parameter-free atomistic modeling of semiconductor nanoelectronics
Keywords :
Green´s function methods; MIS structures; density functional theory; nanoelectronics; quantum theory; silicon compounds; tunnelling; Keldysh nonequilibrium Green function; SiO2; density functional theory; direct tunnelling; metal-oxide-semiconductor nanostructures; nonequilibrium charge transport; nonlinear charge transport; quantum mechanical first principles; Atomic layer deposition; Bonding; Density functional theory; Dielectric devices; Dielectric thin films; Green´s function methods; Leakage current; Nanostructures; Physics; Tunneling;
Conference_Titel :
Solid-State and Integrated Circuit Technology, 2006. ICSICT '06. 8th International Conference on
Conference_Location :
Shanghai
Print_ISBN :
1-4244-0160-7
Electronic_ISBN :
1-4244-0161-5
DOI :
10.1109/ICSICT.2006.306200
