Bloch Orbital Expansion maps DFT orbitals of quantum dots to momentum space, identifying mid-gap states from unpassivated facets and core/shell band alignments not visible in real space.
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Fuzzy band structure of quantum dots by Bloch Orbital Expansion, unconventional insights into geometry-electronic structure relations
Bloch Orbital Expansion maps DFT orbitals of quantum dots to momentum space, identifying mid-gap states from unpassivated facets and core/shell band alignments not visible in real space.