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Atomistic Modelling (CASTEP)

Zhen Rong Yap•
Atomistic Modelling (CASTEP)
Photo by FLY:D / Unsplash

The following work uses Density Functional Theory (CASTEP) to study the structure and electronic properties of white and black phosphorus.

Atomistic Modelling of White and Black Phosphorus
Department of Materials, University of Oxford
Atomistic Modelling of White and Black Phosphorus.pdf
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