Electronic Structure of the CuCl₂(100) Surface: A DFT First-Principle Study

Table 1

Comparison of our calculated properties of the bulk CuCl₂ bulk with previous calculated data [19] and experiment data [23, 31].

Reference	Lattice constant
	𝑎 (Å)	𝑏 (Å)	𝑐 (Å)	β (deg.)
This work	7.35	3.40	7.20	117
Previous calculation (ref. [19])	7.52	3.35	7.29	119
Experiment (ref. [23, 31])	6.90	3.30	6.82	122