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by N.Suzuki
Fri Aug 09, 2019 9:11 am
Forum: Ground state
Topic: Work function of TiN(111)
Replies: 0
Views: 2910

Work function of TiN(111)

Dear all, I'm trying to calculate the work function of TiN(100), (110) and (111) surfaces. The work function was obtained by subtracting the Fermi level (from .out file) from the vacuum level obtained using cut3d.exe. Calculated results (100): 3.023[eV] (110): 3.427[eV] (111): 7.491[eV] * Compared t...