Using surface x-ray diffraction in combination with ab initio calculations we have studied the atomic structure of ultra-thin ZnO films deposited on Fe(110). In contrast to expectation that ZnO adopts the "graphitic" hexagonal Boron-nitride structure to the Wurtzite (WZ) structure is observed. Its formation is related to oxygen impurities in Fe(110) hollow sites inducing an anisotropic charge redistribution within the film which is characterized by a metallic surface. Our results provide a deeper understanding of depolarization mechanisms in ultrathin polar films at the atomic scale.

Wurtzite structure in ultrathin ZnO films on Fe(110): Surface x-ray diffraction and ab initio calculations

MORGANTE, ALBERTO;
2014

Abstract

Using surface x-ray diffraction in combination with ab initio calculations we have studied the atomic structure of ultra-thin ZnO films deposited on Fe(110). In contrast to expectation that ZnO adopts the "graphitic" hexagonal Boron-nitride structure to the Wurtzite (WZ) structure is observed. Its formation is related to oxygen impurities in Fe(110) hollow sites inducing an anisotropic charge redistribution within the film which is characterized by a metallic surface. Our results provide a deeper understanding of depolarization mechanisms in ultrathin polar films at the atomic scale.
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.085423
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11368/2824924
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 7
  • ???jsp.display-item.citation.isi??? 6
social impact