Quantum Dots Visualization Software using Electron Wave Function
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Abstract
Faculty Advisor(s): Ebert, Klimeck, Qiao
The viewing of electron orbitals is a necessary element in the investigation of quantum dot structures as well as in their conceptualization. With an electron wave function superimposed over a crystalline quantum dot structure containing a million to three million atoms, we adapted the marching tetrahedra algorithm to extract iso-surfaces for specified values of the electron wave function. The program generates a fully interactive 3D model of the orbitals within the quantum dot structure in the Extensible 3D (X3D) standard language, the successor to the international VRML standard. The X3D standard exhibits a range of compatibility from web browsers to dedicated virtual reality machines. Having successfully generated the 3D images of the quantum dot orbitals, a functional computer program has been established for the further investigation of these structures.
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