Title :
Towards ab-initio simulations of nanowire field-effect transistors
Author :
Bruck, S. ; Calderara, M. ; Bani-Hashemian, M.H. ; VandeVondele, J. ; Luisier, Mathieu
Author_Institution :
Integrated Syst. Lab., ETH Zurich, Zurich, Switzerland
Abstract :
An atomistic quantum transport simulator based on density functional theory is presented in this paper. It employs CP2K for the construction of the Hamiltonian and overlap matrices. The electron density and current in the conduction band is computed by solving a wave function equation using a sparse linear solver. To determine the open boundary conditions, a highly efficient extension of the parallel FEAST algorithm has been implemented. As an application, a Si NWFET consisting of more than 10,000 atoms has been simulated.
Keywords :
conduction bands; density functional theory; electron density; elemental semiconductors; field effect transistors; matrix algebra; nanoelectronics; nanowires; silicon; wave equations; wave functions; CP2K; Hamiltonian matrices; Si; ab-initio simulations; atomistic quantum transport simulator; conduction band; density functional theory; nanowire field-effect transistors; open boundary conditions; overlap matrices; parallel FEAST algorithm; silicon NWFET; sparse linear solver; wave function equation; Atomic layer deposition; Atomic measurements; Boundary conditions; Discrete Fourier transforms; Mathematical model; Silicon; Transistors; ab-initio; atomistic; density functional theory; nanotransistor; quantum transport;
Conference_Titel :
Computational Electronics (IWCE), 2014 International Workshop on
Conference_Location :
Paris
DOI :
10.1109/IWCE.2014.6865831
