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1 article(s) from Pakdel, Sahar

An implementation of spin–orbit coupling for band structure calculations with Gaussian basis sets: Two-dimensional topological crystals of Sb and Bi

Sahar Pakdel,
Mahdi Pourfath and
J. J. Palacios

Beilstein J. Nanotechnol. 2018, 9, 1015–1023, doi:10.3762/bjnano.9.94

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Figure 1: Comparison between different calculations of the band structure of monolayer antimonene as obtained...

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Figure 2: Radial probability density of two selected elements of the AE and small-core basis sets used in the...

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Figure 3: Comparison between different calculations of the band structure of monolayer antimonene as obtained...

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Figure 4: Comparison between different calculations of the band structure of monolayer antimonene including S...

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Figure 5: Band structure of 9 layers, ABC stacking Sb(111) films as obtained from small core pseudopotential ...

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Figure 6: Band structure of a Bi(111) monolayer, obtained from VASP (dashed black) and small core pseudopoten...

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Published 28 Mar 2018

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