First-principles characterization of the critical thickness for forming metallic states in strained LaAlO3/SrTiO3(001) heterostructure

ACS Applied Materials and Interfaces

Volumn 6, Issue 24, 2014, Pages 22351-22358

  Nazir, Safdar ^a   Yang, Kesong ^a  

^a UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

Author keywords

2DEG; charge carrier density; critical thickness; first principles; oxide heterostructure; strain effects

Indexed keywords

ALUMINUM COMPOUNDS; CALCULATIONS; CARRIER CONCENTRATION; CHARGE CARRIERS; DEPOSITION; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; HYDRAULIC STRUCTURES; LANTHANUM COMPOUNDS; MAGNETIC MOMENTS; METAL INSULATOR TRANSITION; OXIDE MINERALS; PHASE INTERFACES; STRONTIUM TITANATES; SUBSTRATES; THIN FILMS; TITANIUM DIOXIDE; TWO DIMENSIONAL ELECTRON GAS; VACUUM APPLICATIONS;

CRITICAL THICKNESS; ELECTROSTATIC POTENTIALS; FIRST PRINCIPLES; FIRST PRINCIPLES ELECTRONIC STRUCTURE; INSULATOR-TO-METAL TRANSITIONS; INTERFACIAL CONDUCTIVITY; STRAIN EFFECT; TWO-DIMENSIONAL ELECTRON GAS (2DEG);

TENSILE STRAIN;

EID: 84919884068     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am506336w     Document Type: Article

References (45)

1. 3 Heterointerface Nature 2004, 427, 423-426
2. Brinkman, A.; Huijben, M.; van Zalk, M.; Huijben, J.; Zeitler, U.; Maan, J. C.; van der Wiel, W. G.; Rijnders, G.; Blank, D. H. A.; Hilgenkamp, H. Magnetic Effects at the Interface between Non-Magnetic Oxides Nat. Mater. 2007, 6, 493-496
3. 3 Interface Nat. Commun. 2010, 2, 188-194
4. 3 Interface Nat. Commun. 2012, 5, 4291
5. Mannhart, J.; Schlom, D. G. Oxide Interfaces-An Opportunity for Electronics Science 2010, 327, 1607-1611
6. 3(001) through Polar Distortion Phys. Rev. Lett. 2009, 102, 107602
7. 3 Interface Phys. Rev. Lett. 2009, 102, 166804
8. 3 Interface Revisited: A Hybrid Functional Study Phys. Rev. B 2013, 88, 045119
9. Cen, C.; Thiel, S.; Hammerl, G.; Schneider, C. W.; Andersen, K. E.; Hellberg, C. S.; Mannhart, J.; Levy, J. Nanoscale Control of an Interfacial Metal-Insulator Transition at Room Temperature Nat. Mater. 2008, 7, 298-302
10. Cen, C.; Thiel, S.; Mannhart, J.; Levy, J. Oxide Nanoelectronics on Demand Science 2009, 323, 1026-1030
11. Gozar, A.; Logvenov, G.; Kourkoutis, L. F.; Bollinger, A. T.; Giannuzzi, L. A.; Muller, D. A.; Bozovic, I. High-Temperature Interface Superconductivity between Metallic and Insulating Copper Oxides Nature 2008, 455, 782-785
12. y Epitaxial Thin Films (x = 0 to 2): Structure, Strain, and Superconductivity Phys. Rev. B 2000, 61, 12447
13. Warusawithana, M. P.; Cen, C.; Sleasman, C. R.; Woicik, J. C.; Li, Y.; Kourkoutis, L. F.; Klug, J. A.; Li, H.; Ryan, P.; Wang, L. P.; Bedzyk, M.; Muller, D. A.; Chen, L. Q.; Levy, J.; Schlom, D. G. A Ferroelectric Oxide Made Directly on Silicon Science 2009, 324, 367-370
14. 3 Thin Films Science 2004, 306, 1005-1009
15. 3 Nature 2004, 430, 758-761
16. 3 Films: The Effects of Epitaxial Strain Appl. Phys. Lett. 2014, 104, 042907-042911
17. Yang, K.; Setyawan, W.; Wang, S.; Nardelli, M. B.; Curtarolo, S. A Search Model for Topological Insulators with High-Throughput Robustness Descriptors Nat. Mater. 2012, 11, 614-619
18. 3 Phys. Rev. Lett. 2011, 107, 146804
19. Welser, J.; Hoyt, J. L.; Gibbons, J. F. Electron Mobility Enhancement in Strained-Si n-type Metal-Oxide-Semiconductor Field-Effect Transistors IEEE Electron Device Lett. 1994, 15, 100-102
20. 3 with Strain Appl. Phys. Lett. 2011, 98, 132102-132104
21. Chu, M.; Sun, Y.; Aghoram, U.; Thompson, S. E. Strain: A Solution for Higher Carrier Mobility in Nanoscale MOSFETs Annu. Rev. Mater. Res. 2009, 39, 203-229
22. 3 (001) Interface by Epitaxial Strain Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 4720-4724
23. 3 Heterostructures via Strain Engineering Appl. Phys. Lett. 2014, 105, 141602-141605
24. Thiel, S.; Hammerl, G.; Schmehl, A.; Schneider, C. W.; Mannhart, J. Tunable Quasi-Two-Dimensional Electron Gases in Oxide Heterostructures Science 2006, 313, 1942-1945
25. 3 Revealed by High-Energy Optical Conductivity Nat. Commun. 2014, 5, 3663
26. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab-Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
27. Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
28. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
29. 3 Heterostructures ACS Appl. Mater. Interfaces 2011, 3, 3819-3823
30. 2 J. Phys. D: Appl. Phys. 2014, 47, 275101
31. 2 Phys. Rev. B 2010, 81, 033202
32. 3 Superlattices Phys. Rev. Lett. 2006, 97, 056802
33. Hamann, D. R.; Muller, D. A.; Hwang, H. Y. Lattice-Polarization Effects on Electron-Gas Charge Densities in Ionic Superlattices Phys. Rev. B 2006, 73, 195403
34. 3 Interface Phys. Rev. B 2008, 78, 205106
35. 3 Interface Phys. Rev. Lett. 2008, 101, 256801
36. 3 Surf. Sci. 2011, 605, 1114-1121
37. 3 Interface Adv. Mater. 2013, 25, 2333-2338
38. 3 Phys. Rev. Lett. 2011, 106, 036101
39. 3 Interface Phys. Rev. B 2008, 78, 193104
40. 3 Heterostructures with Hard X-Ray Photoelectron Spectroscopy Phys. Rev. Lett. 2009, 102, 176805
41. 3 Heterostructures Phys. Rev. B 2012, 86, 045127
42. 3 Superlattices Phys. Rev. B 2013, 88, 155111
43. 3 Interface: The Role of Interfacial Ti 3 d Electrons Phys. Rev. B 2012, 85, 020407
44. 3 Heterostructures Phys. Rev. Lett. 2013, 111, 087204
45. 3 Interfaces Nat. Phys. 2011, 7, 762-766