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Effects of the sputtering power on the crystalline structure and optical properties of the silver oxide films deposited using direct-current reactive magnetron sputtering

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Chinese Physics B 2011年第2期20卷 370-375页

作者：郜小勇张增院马姣民卢景霄谷锦华杨仕娥 The Key Lab of Materials Physics of Ministry of Education School of Physics and EngineeringZhengzhou University

This paper reports that a series of silver oxide （AgzO） films are deposited on glass substrates by direct-current reactive magnetron sputtering at a substrate temperature of 250 ℃ and an oxygen flux ratio of 15：18 by modifying the sputtering power （SP）. The AgxO films deposited apparently show a structural evolution from cubic biphased （AgO ＋ Ag20） to cubic single-phased （Ag20）, and to biphased （Ag20 ＋ AgO） structure. Notably, the cubic single-phased Ag20 fihn is deposited at the SP = 105 W and an AgO phase with （220） orientation discerned in the Ag^O films deposited using the SP 〉 105 W. The transmissivity and refiectivity of the AgxO films in transparent region decrease with the increase the SP, whereas the absorptivity inversely increases with the increase of the SP. These results may be due to the structural evolution and the increasing film thickness. A redshift of the films＇ absorption edges determined in terms of Tauc formula clearly occurs from 3.1 eV to 2.73 eV with the increase of the SP.

关键词： Ag2O film direct-current reactive magnetron sputtering x-ray diffraction optical prop-erties

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Density functional theory analysis of electronic structure and optical properties of La-doped Cd_2SnO_4 transparent conducting oxide

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Chinese Physics B 2018年第1期27卷 486-491页

作者：汤梅尚家香张跃 School of Materials Science & Engineering Beihang University Journal Publishing Center of Tsinghua University Press

The electronic structural, effective masses of carriers, and optical properties of pure and La-doped Cd2SnO4 are calculated by using the first-principles method based on the density functional theory. Using the GGA＋U method, we show that Cd2SnO4 is a direct band-gap semiconductor with a band gap of 2.216 eV, the band gap decreases to 2.02 eV and the Fermi energy level moves to the conduction band after La doping. The density of states of Cd2SnO4 shows that the bottom of the conduction band is composed of Cd 5s, Sn 5s, and Sn 5p orbits, the top of the valence band is composed of Cd 4d and O 2p, and the La 5d orbital is hybridized with the O 2p orbital, which plays a key role at the conduction band bottom after La doping. The effective masses at the conduction band bottom of pure and La-doped Cd2SnO4 are 0.18m0 and 0.092m0, respectively, which indicates that the electrical conductivity of Cd2SnO4 after La doping is improved. The calculated optical properties show that the optical transmittance of La-doped Cd2SnO4 is 92%, the optical absorption edge is slightly blue shifted, and the optical band gap is increased to 3.263 eV. All the results indicate that the conductivity and optical transmittance of Cd2SnO4 can be improved by doping La.

关键词： transparent conducting oxides electronic band structure first-principle calculations optical prop-erties

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