Electronic Band Structure of Transparent Conductor: Nb-Doped Anatase TiO2

被引：121

作者：

Hitosugi, Taro ^{[1
,2
]}

Kamisaka, Hideyuki ^{[3
]}

Yamashita, Koichi ^{[3
]}

Nogawa, Hiroyuki ^{[4
]}

Furubayashi, Yutaka ^{[2
]}

Nakao, Shoichiro ^{[2
]}

Yamada, Naoomi ^{[2
]}

Chikamatsu, Akira ^{[5
]}

Kumigashira, Hiroshi ^{[5
]}

Oshima, Masaharu ^{[5
]}

Hirose, Yasushi ^{[2
,4
]}

Shimada, Toshihiro ^{[2
,4
]}

Hasegawa, Tetsuya ^{[2
,4
]}

机构：

[1] Tohoku Univ, Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan

[2] KAST, Kawasaki, Kanagawa 2130012, Japan

[3] Univ Tokyo, Dept Chem Syst Engn, Tokyo 1138656, Japan

[4] Univ Tokyo, Dept Chem, Tokyo 1130033, Japan

[5] Univ Tokyo, Dept Appl Chem, Tokyo 1138656, Japan

来源：

APPLIED PHYSICS EXPRESS | 2008年 / 1卷 / 11期

关键词：

D O I：

10.1143/APEX.1.111203

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have investigated electronic band structure of a transparent conducting oxide, Nb-doped anatase TiO2 (TNO), by means of first-principles band calculations and photoemission measurements. The band calculations revealed that Nb 4d orbitals are strongly hybridized with Ti 3d ones to form a d-nature conduction band, without impurity states in the in-gap region, resulting in high carrier density exceeding 10(21) cm(-3) and excellent optical transparency in the visible region. Furthermore, we confirmed that the results of valence band and core-level photoemission measurements are consistent with prediction by the present band calculations. (C) 2008 The Japan Society of Applied Physics

引用

页码：1112031 / 1112033

页数：3

共 22 条

[1] Photoinduced reactivity of titanium dioxide [J].

Carp, O ;

Huisman, CL ;

Reller, A .

PROGRESS IN SOLID STATE CHEMISTRY, 2004, 32 (1-2) :33-177

[2] TiO2 anatase nanolayer on TiN thin film exhibiting high-speed bipolar resistive switching [J].

Fujimoto, Masayuki ;

Koyama, Hiroshi ;

Konagai, Masashi ;

Hosoi, Yasunari ;

Ishihara, Kazuya ;

Ohnishi, Shigeo ;

Awaya, Nobuyoshi .

APPLIED PHYSICS LETTERS, 2006, 89 (22)

[3] ELECTROCHEMICAL PHOTOLYSIS OF WATER AT A SEMICONDUCTOR ELECTRODE [J].

FUJISHIMA, A ;

HONDA, K .

NATURE, 1972, 238 (5358) :37-+

[4] A transparent metal:: Nb-doped anatase TiO2 -: art. no. 252101 [J].

Furubayashi, Y ;

Hitosugi, T ;

Yamamoto, Y ;

Inaba, K ;

Kinoda, G ;

Hirose, Y ;

Shimada, T ;

Hasegawa, T .

APPLIED PHYSICS LETTERS, 2005, 86 (25) :1-3

[5]

Furubayashi Y., 2006, APPL PHYS LETT, V88

[6] rf magnetron sputter deposition of transparent conducting Nb-doped TiO2 films on SrTiO3 [J].

Gillispie, Meagen A. ;

van Hest, Maikel F. A. M. ;

Dabney, Matthew S. ;

Perkins, John D. ;

Ginley, David S. .

JOURNAL OF APPLIED PHYSICS, 2007, 101 (03)

[7]

HIROSE Y, PHYS REV B UNPUB

[8] Ta-doped anatase TiO2 epitaxial film as transparent conducting oxide [J].

Hitosugi, T ;

Furubayashi, Y ;

Ueda, A ;

Itabashi, K ;

Inaba, K ;

Hirose, Y ;

Kinoda, G ;

Yamamoto, Y ;

Shimada, T ;

Hasegawa, T .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 2005, 44 (33-36) :L1063-L1065

[9] Theoretical study of the structure and optical properties of carbon-doped rutile and anatase titanium oxides [J].

Kamisaka, H ;

Adachi, T ;

Yamashita, K .

JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (08)

[10] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186

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