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VLSI Design
Volume 6, Issue 1-4, Pages 47-51
http://dx.doi.org/10.1155/1998/15645

Parallel Computation for Electronic Waves in Quantum Corrals

1202-A Nieuwland, College of Science, University of Notre Dame, Notre Dame, IN 46556, USA
2Department of Electrical Engineering, 268 Fitzpatrick, College of Engineering, University of Notre Dame, Notre Dame, IN 46556, USA

Copyright © 1998 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Recent scanning tunneling microscopy (STM) studies on the (111) faces of noble metals have directly imaged electronic surface-confined states and dramatic standing-wave patterns have been observed 1,2]. We solve for the local density of electronic states in these “leaky” quantum corral confinement structures using a coherent elastic scattering theory. We seek solutions of the two-dimensional Schrödinger equation compatible with non-reflecting boundary conditions which asymptotically satisfy the Sommerfeld radiation condition [11,14]. The large matrices generated by the discretization of realistic quantum corral structures require the use of sparse matrix methods. In addition, a parallel finite element solution was undertaken using the message passing interface standard (MPI) and the Portable, Extensible, Toolkit for Scientific Computation (PETSc) [5] for an efficient computational solution on both distributed and shared memory architectures. Our calculations reveal excellent agreement with the reported experimental dl/dV STM data.