Pressure-Induced Monoclinic to Tetragonal Phase Transition in <i>R</i>TaO<sub>4</sub> (<i>R</i> = Nd, Sm): DFT-Based First Principles Studies
In this manuscript, we report the density functional theory-based first principles study of the structural and vibrational properties of technologically relevant M′ fergusonite (<i>P</i>2/<i>c</i>)-structured NdTaO<sub>4</sub> and SmTaO<sub>4</sub> und...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-02-01
|
| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/13/2/254 |