Interface Energetics and Charge Carrier Density Amplification by Sn-Doping in LaAlO3/SrTiO3 Heterostructure

ACS Applied Materials and Interfaces

Volumn 7, Issue 26, 2015, Pages 14294-14302

  Nazir, Safdar ^a   Cheng, Jianli ^a   Behtash, Maziar ^a   Luo, Jian ^a   Yang, Kesong ^a  

^a UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

Author keywords

2DEG; charge carrier density; doping; first principles; interface energetics; perovskite oxide heterostructure

Indexed keywords

CALCULATIONS; CARRIER CONCENTRATION; CHARGE CARRIERS; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; HYDRAULIC STRUCTURES; MAGNETIC MOMENTS; PEROVSKITE; PHASE INTERFACES; SEMICONDUCTING FILMS; STRONTIUM TITANATES; TITANIUM DIOXIDE; TWO DIMENSIONAL ELECTRON GAS;

ELECTRICAL CONDUCTION; ELECTRONIC AND MAGNETIC PROPERTIES; FIRST PRINCIPLES; FIRST PRINCIPLES ELECTRONIC STRUCTURE; INTERFACE ENERGETICS; NANOELECTRONIC DEVICES; PEROVSKITE OXIDES; TWO-DIMENSIONAL ELECTRON GAS (2DEG);

TIN;

EID: 84936853324     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.5b02770     Document Type: Article

References (72)

1. 3 Heterointerface Nature 2004, 427, 423-426
2. Okamoto, S.; Millis, A. J. Electronic Reconstruction at an Interface between a Mott Insulator and a Band Insulator Nature 2004, 428, 630-633
3. 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
4. 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
5. Cen, C.; Thiel, S.; Mannhart, J.; Levy, J. Oxide Nanoelectronics on Demand Science 2009, 323, 1026-1030
6. 3 Nat. Mater. 2013, 12, 1112-1118
7. 3 Heterointerfaces Nat. Mater. 2013, 12, 1091-1095
8. Sulpizio, J. A.; Ilani, S.; Irvin, P.; Levy, J. Nanoscale Phenomena in Oxide Heterostructures Annu. Rev. Mater. Sci. 2014, 44, 117-149
9. Stemmer, S.; James Allen, S. Two-Dimensional Electron Gases at Complex Oxide Interfaces Annu. Rev. Mater. Sci. 2014, 44, 151-171
10. Nakagawa, N.; Hwang, H. Y.; Muller, D. A. Why Some Interfaces Cannot Be Sharp Nat. Mater. 2006, 5, 204-209
11. 3 Interface: Evidence from Optical Second Harmonic Generation Phys. Rev. B 2009, 80, 075110
12. 3 Interfaces: The Role of Oxygen Vacancies and Electronic Reconstruction Phys. Rev. X 2013, 3, 021010
13. 3 Interface Phys. Rev. B 2009, 79, 245411
14. 3 Revealed by High-Energy Optical Conductivity Nat. Commun. 2014, 5, 3663
15. Cantoni, C.; Gazquez, J.; Granozio, F. M.; Oxley, M. P.; Varela, M.; Lupini, A. R.; Pennycook, S. J.; Aruta, C.; d. Uccio, U. S.; Perna, P.; Maccariello, D. Electron Transfer and Ionic Displacements at the Origin of the 2D Electron Gas at the LAO/STO Interface: Direct Measurements with Atomic-Column Spatial Resolution Adv. Mater. 2012, 24, 3952-3957
16. 3 Sci. Rep. 2013, 3, 1975
17. 3 Heterointerfaces: Possibility of Intrinsic Doping Phys. Rev. Lett. 2007, 98, 196802
18. 3(001) through Polar Distortion Phys. Rev. Lett. 2009, 102, 107602
19. 3 Interface Ground State Nature 2008, 456, 624-627
20. 3 Interfaces Phys. Rev. Lett. 2010, 105, 236802
21. 3 Interface New J. Phys. 2014, 16, 112002
22. 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 Nonmagnetic Oxides Nat. Mater. 2007, 6, 493-496
23. 3 Interface Nat. Commun. 2010, 2, 188-194
24. 3 Interface Nat. Commun. 2014, 5, 5019
25. 3 Interfaces Nat. Phys. 2011, 7, 762-766
26. 3 Interface Nat. Phys. 2011, 7, 767-771
27. 3 Heterostructures Phys. Rev. Lett. 2011, 107, 217201
28. 3 Multilayers Phys. Rev. Lett. 2012, 109, 257207
29. 3 Heterostructures Nat. Commun. 2012, 3, 922
30. 3 Interfaces: Hole Polarons, Oxygen Vacancies, and Mobile Electrons Phys. Rev. B 2006, 74, 035112
31. Chan, C. K.; Werner, P.; Millis, A. J. Magnetism and Orbital Ordering in an Interacting Three-Band Model: A Dynamical Mean-Field Study Phys. Rev. B 2009, 80, 235114
32. Pavlenko, N.; Kopp, T.; Tsymbal, E. Y.; Mannhart, J.; Sawatzky, G. A. Oxygen Vacancies at Titanate Interfaces: Two-Dimensional Magnetism and Orbital Reconstruction Phys. Rev. B 2012, 86, 064431
33. 3 Interface: The Role of Interfacial Ti 3 d Electrons Phys. Rev. B 2012, 85, 020407
34. 3 Interface Nat. Phys. 2013, 9, 626-630
35. 3 (001) Interface by Epitaxial Strain Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 4720-4724
36. 3 Using Ion Beams: Implications for Patterning ACS Nano 2013, 7, 10572-10581
37. Irvin, P.; Ma, Y.; Bogorin, D. F.; Cen, C.; Bark, C. W.; Folkman, C. M.; Eom, C.-B.; Levy, J. Rewritable Nanoscale Oxide Photodetector Nat. Photonics 2010, 4, 849-852
38. 3 Heterostructures ACS Nano 2012, 6, 1278-1283
39. 3 Heterostructures via Strain Engineering Appl. Phys. Lett. 2014, 105, 141602
40. 3(001) Heterostructure ACS Appl. Mater. Interfaces 2014, 6, 22351-22358
41. 3(001) Heterostructure RSC Adv. 2015, 5, 15682-15689
42. 3 Heterostructure ACS Appl. Mater. Interfaces 2015, 7, 5305-5311
43. Nazir, S.; Behtash, M.; Yang, K. Towards Enhancing Two-Dimensional Electron Gas Quantum Confinement Effects in Perovskite Oxide Heterostructures J. Appl. Phys. 2015, 117, 115305
44. 3 Surface Nat. Mater. 2011, 10, 114-118
45. Yu, L.; Zunger, A. A Polarity-Induced Defect Mechanism for Conductivity and Magnetism at Polar-Nonpolar Oxide Interfaces Nat. Commun. 2014, 5, 5118
46. 3 interface J. Phys.: Condens. Matter 2014, 26, 215703
47. 3 Heterostructures Induced by Al Vacancies Phys. Rev. Lett. 2014, 113, 186401
48. 3 Interfaces Appl. Phys. Lett. 2009, 94, 172101
49. 3 Interfaces Appl. Phys. Lett. 2010, 97, 072110
50. Choi, W. S.; Lee, S.; Cooper, V. R.; Lee, H. N. Fractionally δ-Doped Oxide Superlattices for Higher Carrier Mobilities Nano Lett. 2012, 12, 4590-4594
51. 3 Heterostructures Phys. Rev. B 2014, 89, 125127
52. 3 Interfaces J. Phys.: Condens. Matter 2013, 25, 175005
53. 3 Interfaces via Rare Earth Doping Solid State Commun. 2013, 156, 35-37
54. 3 Heterostructures Appl. Phys. Lett. 2013, 102, 091601
55. 3 Heterostructures Phys. Rev. B 2014, 89, 224413
56. Disa, A. S.; Kumah, D. P.; Malashevich, A.; Chen, H.; Arena, D. A.; Specht, E. D.; Ismail-Beigi, S.; Walker, F. J.; Ahn, C. H. Orbital Engineering in Symmetry-Breaking Polar Heterostructures Phys. Rev. Lett. 2015, 114, 026801
57. 3 Heterostructures Phys. Rev. Lett. 2013, 111, 087204
58. Kang, B.; Ceder, G. Battery Materials for Ultrafast Charging and Discharging Nature 2009, 458, 190-193
59. Chen, X.; Liu, L.; Yu, P. Y.; Mao, S. S. Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals Science 2011, 331, 746-750
60. Luo, J.; Chiang, Y.-M. Wetting and Prewetting on Ceramic Surfaces Annu. Rev. Mater. Res. 2008, 38, 227-249
61. Cantwell, P. R.; Tang, M.; Dillon, S. J.; Luo, J.; Rohrer, G. S.; Harmer, M. P. Grain Boundary Complexions Acta Mater. 2014, 62, 1-48
62. Baram, M.; Chatain, D.; Kaplan, W. D. Nanometer-Thick Equilibrium Films: The Interface between Thermodynamics and Atomistics Science 2011, 332, 206-209
63. 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
64. 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
65. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
66. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
67. 3 Superlattices Phys. Rev. Lett. 2006, 97, 056802
68. 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
69. 3 Interface Phys. Rev. B 2008, 78, 205106
70. Dudiy, S. V.; Lundqvist, B. I. First-Principles Density-Functional Study of Metal-Carbonitride Interface Adhesion: Co/TiC(001) and Co/TiN(001) Phys. Rev. B 2001, 64, 045403
71. Hartford, J. Interface Energy and Electron Structure for Fe/VN Phys. Rev. B 2000, 61, 2221-2229
72. 3 Superlattices J. Appl. Phys. 2008, 103, 07B508