Artículo
Stability of Ni sites across the pressure-induced insulator-to-metal transition in YNiO 3
Ramos, Aline Y.; Piamonteze, Cinthia; Tolentino, Hélio C. N.; Souza Neto, Narcizo M.; Bunau, Oana; Joly, Yves; Grenier, Stéphane; Itié, Jean Paul; Massa, Nestor Emilio
; Alonso, José A.; Martinez Lope, Maria J.
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Fecha de publicación:
01/2012
Editorial:
American Physical Society
Revista:
Physical Review B: Condensed Matter and Materials Physics
ISSN:
0163-1829
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
The local environment of nickel atoms in YNiO 3 across the pressure-induced insulator-to-metal (IM) transition was studied using x-ray absorption spectroscopy (XAS) supported by ab initio calculations. The monotonic contraction of the NiO 6 units under applied pressure observed up to 13 GPa stops in a limited pressure domain around 14 GPa, before resuming above 16 GPa. In this narrow pressure range, crystallographic modifications basically occur in the medium to long range, not in the NiO 6 octahedron, whereas the evolution of the near-edge XAS features can be associated with metallization. Ab initio calculations show that these features are related to medium-range order, provided that the Ni-O-Ni angle enables a proper overlap of the Ni e g and O 2p orbitals. Metallization is then not directly related to modifications in the average local geometry of the NiO 6 units but more likely to an interoctahedral rearrangement. These outcomes provide evidence of the bandwidth-driven nature of the IM transition.
Palabras clave:
YNiO3
,
XAS
,
Insulator- metal transition
,
High Pressure
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Articulos(CEQUINOR)
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Citación
Ramos, Aline Y.; Piamonteze, Cinthia; Tolentino, Hélio C. N.; Souza Neto, Narcizo M.; Bunau, Oana; et al.; Stability of Ni sites across the pressure-induced insulator-to-metal transition in YNiO 3; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 88; 4; 1-2012; 45102-45107
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