Journal of Chemical Physics, Vol.100, No.3, 2394-2397, 1994
Solving Schrodingers Equation Around a Desired Energy - Application to Silicon Quantum Dots
We present a simple, linear-in-size method that enables calculation of the eigensolutions of a Schrodinger equation in a desired energy window. We illustrate this method by studying the near-gap electronic structure of Si quantum dots with size up to Si1315H460(approximate to 37 Angstrom in diameter) using a plane wave pseudopotential representation.
Keywords:SEMICONDUCTOR CLUSTERS;ELECTRONIC-STRUCTURE;SURFACE;SI;RECONSTRUCTION;CHEMISORPTION;HYDROGEN