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- W3127788205 abstract "Abstract Two-dimensional (2D) carrier gases in perovskite surfaces and interfaces have been intensely studied since their properties are attractive to many functional devices and applications. Here, we demonstrate through ab initio DFT calculations that surface 2D carries gases can be found in NaTaO 3 ultrathin films. Furthermore, we show the thickness dependence of such phenomenon and how it can be tuned when biaxial in-plane strain is applied. Tensile does not alter the valence and conduction character of the films but promotes 2D electron and hole gases in the (TaO 2 ) + and (NaO) − surfaces, respectively. Because of the competition between surface and strain effects to deal with the cleavage-induced polarity, biaxial compression is able to generate 2D hole gases in the (TaO 2 ) + surface instead. Such carrier-type and layer switching are explained through changes in the electrostatic potential balancing along the [001] direction and (Na,Ta) cations displacements. The presented results concern not only nanoelectronics but also catalytic applications where modulating bandgap and valence/conduction states is desired." @default.
- W3127788205 created "2021-02-15" @default.
- W3127788205 creator A5054468608 @default.
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- W3127788205 date "2021-02-04" @default.
- W3127788205 modified "2023-09-25" @default.
- W3127788205 title "2DEG and 2DHG in NaTaO<sub>3</sub> polar thin films: thickness and strain dependency" @default.
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- W3127788205 doi "https://doi.org/10.1088/2632-959x/abe01d" @default.
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