Yuan Ze et al 2009 Chinese Phys. Lett. 26 117203 doi:10.1088/0256-307X/26/11/117203
Yuan Ze, Chen Zhi-Dong, Zhang Jin-Yu, He Yu, Zhang Ming and Yu Zhi-Ping
Show affiliationsThe non-equilibrium Green's function (NEGF) technique provides a solid foundation for the development of quantum mechanical simulators. However, the convergence is always of great concern. We present a general analytical formalism to acquire the accurate derivative of electron density with respect to electrical potential in the framework of NEGF. This formalism not only provides physical insight on non-local quantum phenomena in device simulation, but also can be used to set up a new scheme in solving the Poisson equation to boost the performance of convergence when the NEGF and Poisson equations are solved self-consistently. This method is illustrated by a simple one-dimensional example of an N++ N+ N++ resistor. The total simulation time and iteration number are largely reduced.
84.32.Ff Conductors, resistors (including thermistors, varistors, and photoresistors)
02.30.Hq Ordinary differential equations
85.30.De Semiconductor-device characterization, design, and modeling
72.10.-d Theory of electronic transport; scattering mechanisms
Issue 11 (November 2009)
Received 20 October 2008
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