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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
S E Boulfelfel1, D Zahn, Yu Grin
1Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden, Germany.
Molecular dynamics simulations reveal a nucleation and growth mechanism for the Gallium Nitride (GaN) pressure-induced phase transition. Defect incorporation, particularly aluminum substitution, significantly alters this transformation pathway.
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