Muestra métricas de impacto externas asociadas a la publicación. Para mayor detalle:
| Indexado |
|
||||
| DOI | 10.1209/0295-5075/99/57010 | ||||
| Año | 2012 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
We perform a theoretical prediction of the structure of amorphous YCrO3. We obtained equivalent amorphous structures by means of two independent first principles density functional theory based methods: molecular dynamics and stochastic quenching. In our structural analysis we include radial and angle distribution functions as well as calculations of bond lengths and average coordination numbers. We find Cr+3 atoms situated in slightly distorted oxygen octahedra throughout the amorphous structures and that the distribution of these octahedra is disordered. The presence of the same Cr+3 local environments that give rise to ferroelectricity in the orthorhombic perovskite structure suggests that the amorphous phase of YCrO3 may also exhibit ferroelectric properties. Copyright (c) EPLA, 2012
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | LIZARRAGA-JURADO, RAQUEL ALEJANDRA | Mujer |
Universidad Austral de Chile - Chile
|
| 2 | Ramzan, Muhammad | Hombre |
UPPSALA UNIV - Suecia
Uppsala Universitet - Suecia |
| 3 | Araujo, C. Moyses | Hombre |
UPPSALA UNIV - Suecia
Uppsala Universitet - Suecia |
| 4 | Blomqvist, Andreas | Hombre |
UPPSALA UNIV - Suecia
Uppsala Universitet - Suecia |
| 5 | Ahuja, Rajeev | Hombre |
UPPSALA UNIV - Suecia
Uppsala Universitet - Suecia |
| 6 | Holmstrom, E. | Hombre |
Universidad Austral de Chile - Chile
|
| Agradecimiento |
|---|
| EH and RL acknowledge support from FONDECYT projects 1120334 and 1110602 and also the supercomputer Ainil at the Institute of Physics of Universidad Austral de Chile. MR is very grateful for computer time at SNIC and UPPMAX. RA wishes to acknowledge support from the Swedish research council (VR). |