4.6 Article

High-mobility two-dimensional electron gas in SrGeO3- and BaSnO3-based perovskite oxide heterostructures: an ab initio study

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 46, Pages 31924-31929

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp05572a

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Funding

  1. National Science Foundation [ACI-1550404, OCI-1053575]
  2. Department of Defense National Security Science and Engineering Faculty Fellowship (ONR) [N000141510030]
  3. University of Electronic Science and Technology of China

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We explored the possibility of producing a high-mobility two-dimensional electron gas (2DEG) in the LaAlO3/SrGeO3 and LaGaO3/BaSnO3 heterostructures using first-principles electronic structure calculations. Our results show that the 2DEG occurs at n-type LaAlO3/SrGeO3 and LaGaO3/BaSnO3 interfaces. Compared to the prototype LaAlO3/SrTiO3, LaAlO3/SrGeO3 and LaGaO3/BaSnO3 systems yield comparable total interfacial charge carrier density but much lower electron effective mass (nearly half the value of LaAlO3/SrTiO3), thus resulting in about twice larger electron mobility and enhanced interfacial conductivity. This work demonstrates that SrGeO3 and BaSnO3 can be potential substrate materials to achieve a high-mobility 2DEG in the perovskite-oxide heterostructures.

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