Atomistic modeling of the electrostatic and transport properties of a simplified nanoscale field effect transistor

作者：Zhao Li Na^*; Wang Xue Feng; Yao Zhen Hua; Hou Zhu Feng; Yee Marcus; Zhou Xing; Lin Shi Huan; Lee Teck Seng

来源：Journal of Computational Electronics, 2008, 7(4): 500-508.

DOI：10.1007/s10825-008-0260-0

• Atomistic modeling
• Ballistic transports
• Capacitive models
• Electron densities
• Electrostatic potentials
• Electrostatic properties
• Fourier
• Gate voltages
• Linear combination of atomic orbitals
• Local densities
• Multigrid
• Nano MOSFET
• Nanoscale
• Poisson solvers
• Principle models
• Quantum transport
• Real spaces
• Silicon slabs
• Super cells

A first-principle model is proposed to study the electrostatic properties of a double-gated silicon slab of nano scale in the framework of density functional theory. The applied gate voltage is approximated as a variation of the electrostatic potential on the boundary of the supercell enclosing the system. With the electron density estimated by the real space Green';s functions, efficient multigrid and fast Fourier-Poisson solvers are employed to calculate the electrostatic potential from the charge density. In the representation of localized SIESTA linear combination of atomic orbitals, the Kohn-Sham equation is established and solved self-consistently for the wavefunction of the system in the local density approximation. The transmission for ballistic transport across the atomic silicon slab at small bias is calculated. The charge distribution and electrostatic potential profile in the silicon slab versus the gate voltage are then analyzed with the help of the equivalent capacitive model. Quantum confinement and short gate effects are observed and discussed.

• 出版日期2008