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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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