Table 3 Calculated bandgap (eV) at selected DFT energy functionals

From: Face-centered cubic carbon as a fourth basic carbon allotrope with properties of intrinsic semiconductors and ultra-wide bandgap

Energy Functional

Bandgap (eV)

Reference

CA

7.03

ref. 78

PZ

7.03

ref. 79

HL

7.02

ref. 80

PW

7.03

ref. 81

PBE

7.11

ref. 82

revPBE

7.09

ref. 46

RPBE

7.10

ref. 83

HTCH93

7.35

ref. 84

HTCH120

7.53

ref. 85

C09x

7.17

ref. 86

HTCH407

7.48

ref. 87

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