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Title: Importance of Fermi energy for understanding the intermixing behavior at the LaAlO{sub 3}/SrTiO{sub 3} heterointerface

We investigated the migration energy and vacancy formation energy of La and Sr ions at a LaAlO{sub 3}/SrTiO{sub 3} heterointerface using first-principles calculations. Our study reveal that the migration energies at the p-type interface are lower than those at the n-type interface, and the formation energies of Sr and La vacancies are relatively high when we assume a reduction atmosphere and insulator conditions. To explain the experimental evidence that intermixing is preferentially taking place at the n-type interface, considering the Fermi energy is critical. We find that the presence of electron carriers plays an important role in the intermixing behaviors at the LaAlO{sub 3}/SrTiO{sub 3} heterointerface.
Authors:
;  [1]
  1. Institute of Industrial Science, The University of Tokyo, Tokyo 153-8505 (Japan)
Publication Date:
OSTI Identifier:
22391995
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 20; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALUMINATES; DOPED MATERIALS; ELECTRONS; FORMATION HEAT; INTERFACES; LANTHANUM; LANTHANUM COMPOUNDS; STRONTIUM IONS; STRONTIUM TITANATES; VACANCIES