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Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods

J. Appl. Phys. 106, 084510 (2009); doi:10.1063/1.3248262

Published 27 October 2009

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Xiang-Wei Jiang,1 Hui-Xiong Deng,1 Shu-Shen Li,1 Jun-Wei Luo,2 and Lin-Wang Wang3
1State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083, China
2National Renewable Energy Laboratory, Golden, Colorado 80401, USA
3Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. ©2009 American Institute of Physics
History: Received 3 August 2009; accepted 17 September 2009; published 27 October 2009
Permalink: http://link.aip.org/link/?JAPIAU/106/084510/1
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