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Videos of the evolution of the projected band structures of Hexagonal phosphorus monolayer on Au(111) surface during uniform adsorption

<p>Attached to this DOI are videos of the evolution of the band structure and the band structure projections during the uniform adsorption of the HexP-monolayer on the Au(111) surface.</p> <p>The HexP-monolayer starts at 5 angstr&ouml;m above its relaxed position and ends at its final relaxed position on the Au(111) surface.</p> <p>In total, 19 interpolation structures have been created (both ends included).</p> <p>On the left is the unit-cell of the simulated structure, with phosphorus atoms in orange and gold atoms in yellow.</p> <p>Band structure calculations and projections have been done using the Quantum ESPRESSO framework.</p>

ShareScore

32/100

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These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0