Role of the interface in controlling the epitaxial relationship between orthorhombic 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>LaInO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
 and cubic 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>BaSnO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>

Župančić, Martina; Aggoune, Wahib; Markurt, Toni; Kim, You Jung; Kim, Young Mo; Char, K.; Draxl, Claudia; Albrecht, M.

doi:10.1103/physrevmaterials.4.123605

Cited by 14 publications

(10 citation statements)

References 26 publications

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“…In a previous work [29], it was shown by transmission electron microscopy (TEM) that LaInO 3 can be coherently grown on (001) BaSnO 3 , forming a sharp interface with negligible atomic disorder or misfit dislocations. This characteristic makes such an interface fascinating.…”

Section: Introductionmentioning

confidence: 99%

Tuning two-dimensional electron and hole gases at LaInO3/BaSnO3 interfaces by polar distortions, termination, and thickness

Aggoune

Draxl

2021

npj Comput Mater

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Two-dimensional electron gases (2DEG), arising due to quantum confinement at interfaces between transparent conducting oxides, have received tremendous attention in view of electronic applications. Here, we explore the potential of interfaces formed by two lattice-matched wide-gap oxides of emerging interest, i.e., the polar, orthorhombic perovskite LaInO3 and the nonpolar, cubic perovskite BaSnO3, employing first-principles approaches. We find that the polar discontinuity at the interface is mainly compensated by electronic relaxation through charge transfer from the LaInO3 to the BaSnO3 side. This leads to the formation of a 2DEG hosted by the highly dispersive Sn-s-derived conduction band and a 2D hole gas of O-p character, strongly localized inside LaInO3. We rationalize how polar distortions, termination, thickness, and dimensionality of the system (periodic or non-periodic) can be exploited in view of tailoring the 2DEG characteristics, and why this material is superior to the most studied prototype LaAlO3/SrTiO3.

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Section: Introductionmentioning

confidence: 99%

Tuning two-dimensional electron and hole gases at LaInO3/BaSnO3 interfaces by polar distortions, termination, and thickness

Aggoune

Draxl

2021

npj Comput Mater

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“…This value is two orders of magnitude larger than that of SrTiO 3 [16], and even the highest ever measured in transparent conducting oxides (TCOs). The experimental realization of coherent interfaces with LaInO 3 , exhibiting proper lattice matching [17,18], makes the LaInO 3 /BaSnO 3 (LIO/BSO) system a most promising combination to overcome the limitations of LaAlO 3 /SrTiO 3 [12,19,20]. Therefore, it is important to explore how to control its 2DEG by an external stimulus like a ferroelectric functional layer.…”

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confidence: 99%

Two-dimensional electron gas at LaInO$_3$/BaSnO$_3$ interfaces controlled by a ferroelectric layer

Fang¹,

Aggoune²,

Ren³

et al. 2022

Preprint

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“…This alternating uniaxial-like strain is a very unique situation for perovskites since the average pseudocubic lattice constant (a pc ) of LIO almost matches that of BLSO. Such orthorhombic/cubic epitaxial strain seems to exist in only a few unit cells 22,31,32 in the growth direction unlike the latticemismatched epitaxial growth where the biaxial strain can exist in tens of nm. However, as we alloy LIO with Ga and reduce its lattice constants, we start to increase the lattice-mismatched tensile strain in both in-plane directions.…”

Section: Resultsmentioning

confidence: 99%

“…Such biaxial strain can exist in tens of nm in the growth direction (in the case of a few % lattice mismatch) and causes spontaneous and piezoelectric polarization discontinuity in the case of (AlGa)N/ GaN and (MgZn)O/ZnO whose wurtzite crystal structure does not have inversion symmetry. In the case of LIO/BLSO, there exist orthorhombic domains (a = 5.7229 Å, b = 5.9404 Å, and c = 8.2158 Å) of LIO on BLSO 31,32 , and in each domain one direction is tensilely strained and the other direction is compressively strained while alternating the strain direction from one domain to the next. This alternating uniaxial-like strain is a very unique situation for perovskites since the average pseudocubic lattice constant (a pc ) of LIO almost matches that of BLSO.…”

Section: Resultsmentioning

confidence: 99%

The role of coherent epitaxy in forming a two-dimensional electron gas at LaIn1-xGaxO3/BaSnO3 interfaces

Kim

Char

2021

Commun Mater

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Some oxide interfaces are known to exhibit unique properties such as a 2D electron gas, controlled by epitaxial strain and coherency between the two layers. Here, we study variation in the 2D electron density in the polar LaIn1-xGaxO3/Ba0.997La0.003SnO3 interface with changing x and LaIn1-xGaxO3 layer thickness. We find that the 2D electron density decreases as the gallium alloying ratio increases and the interface conductance eventually disappears, which shows that an interface with polar discontinuity is not a sufficient condition for 2D electron gas formation. The interface conductance reaches its maximum value when the LaIn1-xGaxO3 layer thickness is approximately 20 Å, beyond which conductance decreased to a constant value. Atomistic imaging reveals that dislocations start to form as the gallium ratio increases, forming away from the interface and then moving closer with increasing gallium alloying. The dislocations eventually destroy coherency in the case of LaGaO3 and suppress the formation of a 2D electron gas.

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Role of the interface in controlling the epitaxial relationship between orthorhombic LaInO3 and cubic BaSnO3

Cited by 14 publications

References 26 publications

Tuning two-dimensional electron and hole gases at LaInO3/BaSnO3 interfaces by polar distortions, termination, and thickness

Tuning two-dimensional electron and hole gases at LaInO3/BaSnO3 interfaces by polar distortions, termination, and thickness

Two-dimensional electron gas at LaInO$_3$/BaSnO$_3$ interfaces controlled by a ferroelectric layer

The role of coherent epitaxy in forming a two-dimensional electron gas at LaIn1-xGaxO3/BaSnO3 interfaces

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