2016
DOI: 10.1016/j.cplett.2016.09.074
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A DFT study on NEA GaN photocathode with an ultrathin n-type Si-doped GaN cap layer

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Cited by 7 publications
(2 citation statements)
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“…The bottom GaN layer was terminated with hydrogen atoms which is consistent with a previous work. 36,37 The structure underwent geometry optimization, allowing all atoms to relax while keeping the lattice parameters fixed until the total energy was converged to 10 −5 eV and the Hellman− Feynman force on each relaxed atom was less than 0.03 eV Å −1 .…”
Section: ■ Materials and Methodsmentioning
confidence: 99%
“…The bottom GaN layer was terminated with hydrogen atoms which is consistent with a previous work. 36,37 The structure underwent geometry optimization, allowing all atoms to relax while keeping the lattice parameters fixed until the total energy was converged to 10 −5 eV and the Hellman− Feynman force on each relaxed atom was less than 0.03 eV Å −1 .…”
Section: ■ Materials and Methodsmentioning
confidence: 99%
“…The bottom GaN layer was terminated with hydrogen atoms (with a charge of 0.75 e), consistent with previous work. [101,102] van der Waals interactions were accounted for by the DFT-D3 method.…”
Section: Methodsmentioning
confidence: 99%