%0 Journal Article
%T Derivative of Electron Density in Non-Equilibrium Green's Function Technique and Its Application to Boost Performance of Convergence<br>
%A YUAN Ze
%A CHEN Zhi-Dong
%A ZHANG Jin-Yu
%A HE Yu
%A ZHANG Ming
%A YU Zhi-Ping
%A <br>
%J 中国物理快报
%D 2009
%I 
%X The 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 devicesimulation, 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.
%K 72
%K 10
%K -d
%K 73
%K 63
%K -b<br>
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=E4B51C805A131F26D440BD5BA9DDA738&yid=DE12191FBD62783C&vid=96C778EE049EE47D&iid=708DD6B15D2464E8&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=0