We describe the intrinsic mechanism of 2-dimensional electron confinement at the n-type SrTiO3=LaAlO3 interface as a function of the sheet carrier density ns via advanced first-principles calculations. Electrons localize spontaneously in Ti 3dxy levels within a thin (& 2 nm) interface-adjacent SrTiO3 region for ns lower than a threshold value nc $ 1014 cm_2. For ns > nc a portion of charge flows into Ti 3dxz-dyz levels extending farther from the interface. This intrinsic confinement can be attributed to the interface-induced symmetry breaking and localized nature of Ti 3d t2g states. The sheet carrier density directly controls the binding energy and the spatial extension of the conductive region. A direct, quantitative relation of these quantities with ns is provided.

Spontaneous 2-dimensional carrier confinement at the n-type SrTiO3/LaAlO3 interface,

P Delugas;A Filippetti;V Fiorentini;
2011

Abstract

We describe the intrinsic mechanism of 2-dimensional electron confinement at the n-type SrTiO3=LaAlO3 interface as a function of the sheet carrier density ns via advanced first-principles calculations. Electrons localize spontaneously in Ti 3dxy levels within a thin (& 2 nm) interface-adjacent SrTiO3 region for ns lower than a threshold value nc $ 1014 cm_2. For ns > nc a portion of charge flows into Ti 3dxz-dyz levels extending farther from the interface. This intrinsic confinement can be attributed to the interface-induced symmetry breaking and localized nature of Ti 3d t2g states. The sheet carrier density directly controls the binding energy and the spatial extension of the conductive region. A direct, quantitative relation of these quantities with ns is provided.
2011
Istituto Officina dei Materiali - IOM -
interfacce
calcoli ab initio
confinamento elettronico
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/19679
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