Account

Table 1 Absolute surface energies $E_{surf}^{n \times m}$ and $γ^{n \times m}$ for various orientations and reconstructions

From: Spontaneous formation of graphene-like stripes on high-index diamond C(331) surface

Orientation	Reconstruction	E_surf (eV/1 × 1 cell)	γ(J/m²)
(111)	2 × 1	0.993	2.91
	2 × 1	(1.369)	(4.06)
	H-covered	−1.903	−5.57
	H-covered	(−2.760)	(−8.19)
(110)	1 × 1 relaxed	1.824	3.27
	1 × 1 relaxed	(3.264)	(5.93)
	H-covered	−4.971	−8.91
	H-covered	(−5.496)	(−9.99)
(331)	1 × 1 graphitic	2.040	2.31
(331)	H-covered	−5.808	−6.58

The values in parentheses from[21] are listed for comparison.

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