2008
DOI: 10.1143/apex.1.111203
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Electronic Band Structure of Transparent Conductor: Nb-Doped Anatase TiO2

Abstract: 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 1021 cm-3 and excellent optical transparency in the visible region. Furthermore, we confirmed that the resul… Show more

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Cited by 142 publications
(143 citation statements)
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“…The whole set of data indicate therefore that in our materials, as expected for n-type systems, the Fermi level lies, in an higher position with respect to the undoped material, very close to the conduction band minimum (CBM) as aspected for Nb-doped system 53 ore, in some case, even inside the conduction band in agreement with findings predicting by theoretical approach 54,55 .…”
Section: Xps Characterizationsupporting
confidence: 90%
“…The whole set of data indicate therefore that in our materials, as expected for n-type systems, the Fermi level lies, in an higher position with respect to the undoped material, very close to the conduction band minimum (CBM) as aspected for Nb-doped system 53 ore, in some case, even inside the conduction band in agreement with findings predicting by theoretical approach 54,55 .…”
Section: Xps Characterizationsupporting
confidence: 90%
“…The electron effective mass was recently measured via ARPES to be around m * e = 0.7m e (where m e is the bare electron mass) for excess carrier densities n ∼ 10 18 ÷10 19 cm −3 [11], which is larger than the one predicted by band structure calculations (m * e = 0.42m e [57]) due to the polaronic dressing of the electrons. For higher carrier density regimes, m * e is expected to decrease towards the values predicted by band structure calculations due to an effective screening of the electron-phonon interaction [11].…”
Section: S6 Choice Of the Electron Effective Massmentioning
confidence: 89%
“…3). Due to the high carrier densities involved in our experiment, we use the value of the electron effective mass reported by band theory m * e = 0.42m e (see §S5 for the choice of m * e ) [57]. On the other hand, to provide an estimate of m * h from the details of the measured electronic structure, we rely on recent ARPES data for the top of the VB along the Γ-X direction in the case of an excess carrier density n ∼ 10 19 cm −3 [21].…”
mentioning
confidence: 99%
“…[63][64][65] As for the present work, it is crucial to understand how the N and Nb codopants . [63][64][65][66][67][68] The picture becomes quite different when both N and Nb are simultaneously added to the anatase lattice ( Figure 5). As already calculated for N doping 9,69 , valence nitrogen states lie in the proximity of the valence band (VB).…”
Section: Electronic Structurementioning
confidence: 99%