Analysis of screening mechanisms for polar discontinuity for LaAlO 3/SrTiO3 thin films based on ab initio calculations

Journal of the Physical Society of Japan

Volumn 77, Issue 10, 2008, Pages

  Ishibashi, Shoji ^a,c   Terakura, Kiyoyuki ^b,c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Ab initio calculation; Electronic structure; Interface; LaAlO3 SrTiO3; Polar catastroph; Polar discontinuity

Indexed keywords

EID: 54349104913     PISSN: 00319015     EISSN: 13474073     Source Type: Journal    
DOI: 10.1143/JPSJ.77.104706     Document Type: Article

References (17)

1. A. Ohtomo and H. Y. Hwang: Nature 427 (2004) 423.
2. N. Nakagawa, H. Y. Hwang, and D. A. Muller: Nat. Mater. 5 (2006) 204.
3. H. Y. Hwang: Science 313 (2006) 1895.
4. M. Huijben, G. Rijnders, D. H. A. Blank, S. Bals, S. van Aert, J. Verbeeck, G. van Tendeloo, A. Brinkman, and H. Hilgenkamp: Nat. Mater. 5 (2006) 556.
5. S. Thiel, G. Hammerl, A. Schmehl, C. W. Schneider, and J. Mannhart: Science 313 (2006) 1942.
6. A. Kalabukhov, R. Gunnarsson, J. Börjesson, E. Olsson, T. Claeson, and D. Winkler: Phys. Rev. B 75 (2007) 121404.
7. W. Siemons, G. Koster, H. Yamamoto, W. A. Harrison, G. Lucovsky, T. H. Geballe, D. H. A. Blank, and M. R. Beasley: Phys. Rev. Lett. 98 (2007) 196802.
8. A. Brinkman, M. Huijben, M. van Zalk, J. Huijben, U. Zeitler, J. C. Maan, W. G. Van der Wiel, G. Rijnders, D. H. A. Blank, and H. Hilgenkamp: Nat. Mater. 6 (2007) 493.
9. R. Pentcheva and W. E. Pickett: Phys. Rev. B 74 (2006) 035112.
10. S. Okamoto, A. J. Millis, and N. A. Spaldin: Phys. Rev. Lett. 97 (2006) 056802.
11. M. S. Park, S. H. Rhim, and A. J. Freeman: Phys. Rev. B 74 (2006) 205416.
12. J.-M. Albina, M. Mrovec, B. Meyer, and C. Elsässer: Phys. Rev. B 76 (2007) 165103.
13. C. A. Rozzi, D. Varsano, A. Marini, E. K. U. Gross, and A. Rubio: Phys. Rev. B 73 (2006) 205119.
14. P. E. Blöchl: Phys. Rev. B 50 (1994) 17953.
15. J. P. Perdew, K. Burke, and M. Ernzerhof: Phys. Rev. Lett. 77 (1996) 3865.
16. 2)].
17. 2 layer. The long distance electron transfer (LDET) consists of this hybridizatin contribution and the electron flow due to the overlap between the valence band of substrate STO (or outer LAO layer) and the conduction band of outer LAO layer (or substrate STO) for the p-type (n-type) interface.