Investigation of the Atomic Structure of Ge-Sb-Se Chalcogenide Glasses

Table 4

Average coordination numbers, , calculated from the RMC simulation. In brackets are indicated the intervals of r within which the atoms are counted as neighbours and, thus, the actual coordination numbers are calculated. The error is ~5% for Ge-Se, Sb-Se, Se-Ge and ~10% for Ge-Sb, Sb-Ge, Se-Sb, Ge-Ge, Sb-Sb, Se-Se. The total coordination distributions are signed by Ge-X for Ge, Sb-X for Sb, and Se-X for Se atom.

Atom pairs	Coordination Number,
	Ge-Se	2.97; (r1:2.15-r2:2.90)	3.10; (r1:2.2- r2:2.85)	3.22; (r1:2.15- r2:2.8)	3.45; (r1:2.15- r2:2.95)	3.63; (r1:2.15- r2:2.95)	3.84; (r1:2.1- r2:2.9)
Ge-Sb	-	0.05; (r1:2.4- r2:2.85)	0.02; (r1:2.4- r2:2.8)	0.03; (r1:2.2- r2:2.75)	0.05; (r1:2.3-2.75)	0.07; (r1:2.3- r2:2.7)
Sb-Se	-	2.97; (r1:2.2-r2:3.0)	2.80; (r1:2.15- r2:3.1)	2.78; (r1:2.15- r2:3.0)	2.64; (r1:2.2- r2:2.95)	2.59; (r1:2.15- r2:3.0)
Sb-Ge	-	0.03; (r1:2.4- r2:2.85)	0.05; (r1:2.4- r2:2.8)	0.04; (r1:2.2- r2:2.75)	0.09; (r1:2.3- r2:2.75)	0.11; (r1:2.3- r2:2.7)
Se-Ge	1.98; (r1:2.15- r2:2.90)	1.81; (r1:2.2- r2:2.85)	1.72; (r1:2.15- r2:2.8)	1.55; (r1:2.15- r2:2.95)	1.21; (r1:2.2- r2:2.85)	0.96; (r1:2.1- r2:2.9)
Se-Sb	-	0.21; (r1:2.2-3.0)	0.31; (r1:2.15-3.1)	0.58; (r1:2.15-3.0)	0.88; (r1:2.15-2.95)	1.08; (r1:2.15-3.0)
Ge-Ge	0.74; (r1:2.25- r2:2.90)	0.55; (r1:2.2- r2:2.95)	0.52; (r1:2.15- r2:2.8)	0.40; (r1:2.2- r2:2.8)	0.23; (r1:2.2- r2:2.8)	0.05; (r1:2.25- r2:2.75)
Sb-Sb	-	0.00	0.03; (r1:2.35- r2:2.75)	0.02; (r1:2.45- r2:2.75)	0.3; (r1:2.35- r2:2.85)	0.15; (r1:2.2- r2:2.75)
Se-Se	0.04; (r1:2.1- r2:2.6)	0.02; (r1:2.1- r2:2.65)	0.02; (r1:2.15- r2:2.6)	0.03; (r1:2.15- r2:2.6)	0.05; (r1:2.1- r2:2.65)	0.08; (r1:2.1- r2:2.6)
Ge-X	3.71	3.69	3.76	3.88	3.91	3.96
Sb-X	-	3.00	2.88	2.84	2.85	2.85
Se-X	2.02	2.02	2.05	2.16	2.14	2.12