Design of two-dimensional electron gas systems via polarization discontinuity from large-scale first-principles calculations

2018 ◽  
Vol 6 (25) ◽  
pp. 6680-6690 ◽  
Author(s):  
Jianli Cheng ◽  
Kesong Yang
Keyword(s):  
First Principles ◽  
Large Scale ◽  
Electron Gas ◽  
Perovskite Oxide ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Dimensional Electron ◽  
Two Dimensional Electron Gas ◽  
Efficient Approach ◽  
Dimensional Electron Gas

This work demonstrates an efficient approach to design perovskite-oxide-based two dimensional electron gas systems using large-scale first-principles calculations.

scholarly journals Termination control of electronic phases in oxide thin films and interfaces: LaAlO 3 /SrTiO 3 (001)

2012 ◽  
Vol 370 (1977) ◽  
pp. 4904-4926 ◽  
Author(s):  
R. Pentcheva ◽  
R. Arras ◽  
K. Otte ◽  
V. G. Ruiz ◽  
W. E. Pickett
Keyword(s):  
First Principles ◽  
Strong Dependence ◽  
Electron Gas ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Dimensional Electron ◽  
Two Dimensional Electron Gas ◽  
Surface And Interface ◽  
Metallic Contacts ◽  
Dimensional Electron Gas

A wealth of intriguing properties emerge in the seemingly simple system composed of the band insulators LaAlO 3 and SrTiO 3 such as a two-dimensional electron gas, superconductivity and magnetism. In this paper, we review the current insight obtained from first principles calculations on the mechanisms governing the behaviour of thin LaAlO 3 films on SrTiO 3 (001). In particular, we explore the strong dependence of the electronic properties on the surface and interface termination, the finite film thickness, lattice polarization and defects. A further aspect that is addressed is how the electronic behaviour and functionality can be tuned by an SrTiO 3 capping layer, adsorbates and metallic contacts. Lastly, we discuss recent reports on the coexistence of magnetism and superconductivity in this system for what they might imply about the electronic structure of this system.

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

2016 ◽  
Vol 18 (46) ◽  
pp. 31924-31929 ◽  
Author(s):  
Yaqin Wang ◽  
Wu Tang ◽  
Jianli Cheng ◽  
Safdar Nazir ◽  
Kesong Yang
Keyword(s):  
First Principles ◽  
Electron Gas ◽  
High Mobility ◽  
Perovskite Oxide ◽  
Two Dimensional ◽  
Dimensional Electron ◽  
Two Dimensional Electron Gas ◽  
Oxide Heterostructures ◽  
Dimensional Electron Gas ◽  
Structure Calculations

First-principles electronic structure calculations predict that SrGeO3 and BaSnO3 can be substrate materials for achieving a high-mobility two-dimensional electron gas in perovskite oxide heterostructures.

Polar catastrophe at the MgO(100)/SnO2(110) interface

2016 ◽  
Vol 4 (47) ◽  
pp. 11129-11134
Author(s):  
A. Albar ◽  
U. Schwingenschlögl
Keyword(s):  
First Principles ◽  
Electron Gas ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Dimensional Electron ◽  
Two Dimensional Electron Gas ◽  
Spin Polarized ◽  
The Creation ◽  
Dimensional Electron Gas

First-principles calculations for the MgO(100)/SnO2(110) interface demonstrate the creation of a two-dimensional electron gas or spin-polarized hole gas depending on the termination.

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