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Computer simulation of PbMoO4 crystal with interstitial oxygen atoms

✍ Scribed by Chen Jianyu; Zhang Qiren; Liu Tingyu; Shao Zexu; Pu Chunying

Book ID
116374851
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
127 KB
Volume
41
Category
Article
ISSN
0927-0256

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## Abstract The positions of the interstitial oxygen atoms in PbWO~4~ (PWO) crystal are simulated by computer technologies. It was found that the formation energy of isolated point defects is low when interstitial oxygen atoms exist around the W^6+^ ion. Based on the computed results, the total den

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