Structural instabilities of infinite-layer nickelates from first-principles simulations
Rare-earth nickelates RNiO_{2} adopting an infinite-layer phase show superconductivity once La, Pr, or Nd is substituted by a divalent cation. Either in the pristine or doped form, these materials are reported to adopt a high-symmetry, perfectly symmetric, P_{4}/mmm tetragonal cell. Nevertheless, bu...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2022-04-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.4.023064 |