First-Principles Study of Electronic Structure and Optical Properties of Tetragonal PbMoO𝟒

Table 2

Calculated results of population analysis.

Atom	s	p	d	Total	Charge (e)
O	1.89	4.78	0	6.68	−0.68
Mo	2.24	6.51	4.01	12.76	1.24
Pb	1.71	0.81	10	12.52	1.48