Theory of electronic structures of chemisorption on oxide surfaces
作者： Masaru Tsukada , Nobuyuki Shima
DOI: 10.1007/BF00307606
关键词: Cluster (physics) 、 Metal 、 Oxide 、 Chemistry 、 Atomic physics 、 Slab 、 Surface states 、 Chemical physics 、 Polar 、 Surface (mathematics) 、 Chemisorption
摘要: Surface electronic structures of metal oxides such as MgO, TiO2, SrTiO3, ReO3 and transition-metal monoxides are discussed based on the first-principles DV-Xα cluster slab methods. Particular attention is paid to origin properties intrinsic extrinsic surface states. A close correlation between structure states confirmed. Some exotic polar oxide surfaces, for example formation a two-dimensional metallic band, predicted.
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Victor E. Henrich, G. Dresselhaus, H. J. Zeiger, Observation of Two-Dimensional Phases Associated with Defect States on the Surface of Ti O 2 Physical Review Letters. ,vol. 36, pp. 1335- 1339 ,(1976) , 10.1103/PHYSREVLETT.36.1335
T. Wolfram, Ş. Ellialtioğlu, Concepts of Surface States and Chemisorption on d-Band Perovskites Theory of Chemisorption. Series: Topics in Current Physics. ,vol. 19, pp. 149- 181 ,(1980) , 10.1007/978-3-642-81431-0_6
Masaru Tsukada, Nobuo Tsuda, Fujio Minami, Theory of the Electronic Structure of ReO3 (001) Surface and the Surface Oxygen Vacancy Journal of the Physical Society of Japan. ,vol. 49, pp. 1115- 1122 ,(1980) , 10.1143/JPSJ.49.1115
Masaru Tsukada, Chikatoshi Satoko, Hirohiko Adachi, Surface Electronic Structure of SrTiO 3 Studied by the DV-Xα Cluster Method Journal of the Physical Society of Japan. ,vol. 48, pp. 200- 210 ,(1980) , 10.1143/JPSJ.48.200
Tetsuya Aruga, Hiroshi Tochihara, Yoshitada Murata, Structure and transitions of K monolayers on Cu (001) Surface Science. ,vol. 158, pp. 490- 496 ,(1985) , 10.1016/0167-2584(85)90043-X
Chikatoshi Satoko, Masaru Tsukada, Hirohiko Adachi, Discrete Variational Xα Cluster Calculations. II. Application to the Surface Electronic Structure of MgO Journal of the Physical Society of Japan. ,vol. 45, pp. 1333- 1340 ,(1978) , 10.1143/JPSJ.45.1333
Victor E. Henrich, Richard L. Kurtz, Intrinsic and defect surface states on single‐crystal metal oxides Journal of Vacuum Science and Technology. ,vol. 18, pp. 416- 419 ,(1981) , 10.1116/1.570801
Y.W. Chung, W.J. Lo, G.A. Somorjai, Low energy electron diffraction and electron spectroscopy studies of the clean (110) and (100) titanium dioxide (rutile) crystal surfaces Surface Science. ,vol. 64, pp. 588- 602 ,(1977) , 10.1016/0039-6028(77)90064-4
Victor E. Henrich, Ultraviolet photoemission studies of molecular adsorption on oxide surfaces Progress in Surface Science. ,vol. 9, pp. 143- 164 ,(1979) , 10.1016/0079-6816(79)90011-X
V.E. Henrich, The nature of transition-metal-oxide surfaces Progress in Surface Science. ,vol. 14, pp. 175- 199 ,(1983) , 10.1016/0079-6816(83)90002-3