An enhanced core–shell interatomic potential for Te–O based oxides
We present a new parametrization of the core–shell Buckingham interatomic potential (IAP) of Te–O oxides which allows to accurately reproduce experimental structural properties of various Te–O based systems including α -, β -, and γ -TeO _2 . Based on this IAP, we generate a high temperature model o...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ab6128 |