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| DOI | 10.1016/J.COMMATSCI.2024.112857 | ||||
| Año | 2024 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
We propose and characterize a novel 2D material with a perovskite structure, Sr2TaO4 monolayer. Using a first principles approach, we study the stability, elastic and electronic properties of the 2D-Sr2TaO4 system. In this metallic monolayer system, the tantalum atom is surrounded by six oxygen atoms in an octahedral configuration. The rotation of the octahedra structures yields antiferrodistortive distortions favoring a phase transition. We have demonstrated the stability of this perovskite-like monolayer using phonons, molecular dynamics, and elasticity criteria.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | GONZALEZ-SALAZAR, JHON WILFER | - |
Universidad Técnica Federico Santa María - Chile
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