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Table 1 Crystallographic parameters of all samples extracted from the Rietveld refinements of the XRD datasets

From: Band Gap Narrowing and Widening of ZnO Nanostructures and Doped Materials

Samples

Temperature (°C)

a = b (Å)

c (Å)

V3)

c/a

Rw

χ 2

s.o.f. Zn

s.o.f. Cu

s.o.f. Mn

s.o.f. of O

ZnO

300

3.2497

5.2063

47.6153

1.6021

9.3

1.5

0.9601

1.0000

1200

3.2496

5.2032

47.5828

1.6012

12.3

1.9

0.9739

1.0000

Zn0.99Cu0.01O

300

3.2496

5.2067

47.6153

1.6023

7.6

1.3

0.9372

0.0093

0.9995

1200

3.2502

5.2050

47.6170

1.6014

13.9

1.8

0.9631

0.0082

0.9983

Zn0.99Mn0.01O

300

3.2499

5.2061

47.6182

1.6019

9.7

1.7

0.9075

0.0092

0.9995

1200

3.2517

5.2063

47.6743

1.6011

14.6

1.8

0.9606

0.0055

1.0000

  1. V volume, RW weighted R profile, χ 2 goodness of fit, s.o.f. site occupancy factor

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