Why did the mBJ potential did not increase the band gap in HfNiSn and ZrNiSn (c=1.31210)?

07 July 2014 0 4K Report

I have calculated the energy band gap of half-Heusler compounds HfNiSn and ZrNiSn (space group F43m) within GGA and TB-mBJ. In most of the previous reports the band gaps are increased with the impementation of mBeJ over GGA. In my case both HfNiSn and ZrNiSn the energy gaps are not improved, the value of gap is same as that of GGA.

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