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Table 1 Atomic coordinates used to model the HfO2unit cell

From: Morphology and Photoluminescence of HfO2Obtained by Microwave-Hydrothermal

Method

T(°C)

Time (h)

Lattice parameter (Å)

Unit cell volume (Å3)

Ref. [ ]

a

b

c

ALD

–

–

5.1

5.2

5.3

140.556

[54]

PIAD

550

3

5.09

5.15

5.24

137.358(7)

[55]

LDA

–

–

5.106

5.165

5.281

139.273(1)

[56]

MH

140

1

5.160(2)

5.179(2)

5.311(1)

66.528(5)

[]

JCPDS

  

5.285(1)

5.181(9)

5.115(7)

140.102(9)

[52]

  1. T temperature,t time,Ref. references,PIAD Plasma ion assisted deposition,ALD atomic layer deposition,LDA local-density approximation, and [] This work
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