High-Pressure Elastic, Vibrational and Structural Study of Monazite-Type GdPO4 from Ab Initio Simulations
The GdPO4 monazite-type has been studied under high pressure by first principles calculations in the framework of density functional theory. This study focuses on the structural, dynamical, and elastic properties of this material. Information about the structure and its evolution under pressure, the...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2018-05-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2073-4352/8/5/209 |