Atomic-scale structure and electronic property of the LaAlO3/TiO2 interface

作者: Zhongchang Wang , Wen Zeng , Lin Gu , Mitsuhiro Saito , Susumu Tsukimoto

DOI: 10.1063/1.3516496

关键词:

摘要: Combining advanced transmission electron microscopy with high-precision first-principles calculation, atomic-scale structures of the LaAlO3/TiO2 interface are investigated and bridged to their electronic property at atomic level. Experimentally, deposited TiO2 thin film is demonstrated have an anatase phase bond directly LaAlO3 substrate in epitaxial, coherent, atomically abrupt fashion. The atomic-resolution microscopic images reveal that can be terminated either AlO2 or LaO layer, which predicted theory exhibit a semiconducting metallic nature interface, respectively. By applying several analytic methods, we characterize carefully structure determine interfacial bonding mixed covalent-ionic character. combined experimental theoretical studies performed shed light on complex buried fundamental for understanding promising properties fu...

参考文章(56)
H. Kim, G. P. Kushto, C. B. Arnold, Z. H. Kafafi, A. Piqué, Laser processing of nanocrystalline TiO2 films for dye-sensitized solar cells Applied Physics Letters. ,vol. 85, pp. 464- 466 ,(2004) , 10.1063/1.1772870
Chuan Fu, Tingzhen Li, Junsheng Qi, Jie Pan, Shuhong Chen, Cong Cheng, Theoretical study on the electronic and optical properties of Ce3+-doped TiO2 photocatalysts Chemical Physics Letters. ,vol. 494, pp. 117- 122 ,(2010) , 10.1016/J.CPLETT.2010.05.085
Hiroki Wadati, Yasushi Hotta, Atsushi Fujimori, Tomofumi Susaki, Harold Y. Hwang, Yasutaka Takata, Koji Horiba, Masaharu Matsunami, Shik Shin, Makina Yabashi, Kenji Tamasaku, Yoshinori Nishino, Tetsuya Ishikawa, Hard x-ray photoemission study of La Al O 3 ∕ La V O 3 multilayers Physical Review B. ,vol. 77, pp. 045122- ,(2008) , 10.1103/PHYSREVB.77.045122
A. Bongiorno, A. Pasquarello, O2 oxidation reaction at the Si(100)-SiO2 interface : A first-principles investigation Journal of Materials Science. ,vol. 40, pp. 3047- 3050 ,(2005) , 10.1007/S10853-005-2663-7
Zhongchang Wang, Susumu Tsukimoto, Mitsuhiro Saito, Yuichi Ikuhara, Atomic and electronic structure of the YBa2Cu3O7/SrTiO3 interface from first principles Journal of Applied Physics. ,vol. 106, pp. 093714- ,(2009) , 10.1063/1.3257264
J. K. Dewhurst, J. E. Lowther, High-pressure structural phases of titanium dioxide. Physical Review B. ,vol. 54, pp. 3673- 3675 ,(1996) , 10.1103/PHYSREVB.54.R3673
A. Boudali, B. Amrani, M. Driss khodja, A. Abada, K. Amara, First-principles study of structural, elastic, electronic, and thermal properties of LaAlO3 perovskite Computational Materials Science. ,vol. 45, pp. 1068- 1072 ,(2009) , 10.1016/J.COMMATSCI.2009.01.011
P. E. Batson, N. Dellby, O. L. Krivanek, Sub-ångstrom resolution using aberration corrected electron optics Nature. ,vol. 418, pp. 617- 620 ,(2002) , 10.1038/NATURE00972
SA Wolf, DD Awschalom, RA Buhrman, JM Daughton, von S von Molnár, ML Roukes, A Yu Chtchelkanova, DM Treger, Spintronics: A Spin-Based Electronics Vision for the Future Science. ,vol. 294, pp. 1488- 1495 ,(2001) , 10.1126/SCIENCE.1065389
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953