“…26,28 The agreement of a VBM of Γ + 3 also settled the symmetry assignment of the Sn s-derived conduction-band minimum (CBM) as Γ + 1 , as suggested by experimental arguments 13,14,29 and calculations. 9,11 The experimental results largely agree that the lowest dipole-allowed direct (direct-allowed) transition features a strong polarization anisotropy, but the origin of this transition is heavily debated. Experimental 10 as well as theoretical [7][8][9]11 reports are plagued by inconsistencies in the ordering and relative energies of the lower-lying VB states.…”
Section: Introductionmentioning
confidence: 82%
“…9,11 The experimental results largely agree that the lowest dipole-allowed direct (direct-allowed) transition features a strong polarization anisotropy, but the origin of this transition is heavily debated. Experimental 10 as well as theoretical [7][8][9]11 reports are plagued by inconsistencies in the ordering and relative energies of the lower-lying VB states. Nagasawa and Shionoya reported an allowed transition value of 3.75 eV for light polarized perpendicular to the tetragonal c axis (E ⊥ c), which they associated with a VB of symmetry Γ − 5 lying 0.15 to 0.20 eV below the VBM.…”
Section: Introductionmentioning
confidence: 82%
“…Despite the vast experimental and theoretical literature on SnO 2 , many discrepancies and unsolved issues remain. These include details of the valence-band (VB) ordering and band symmetries, 7-10 the role of indirect transitions, 9,11,12 and the exciton spectrum. 10,[13][14][15] Although SnO 2 is widely used for its optical properties, its dielectric function is not available in the literature.…”
The structural, electronic, and optical properties of the semiconducting oxide SnO 2 are investigated using first-principles calculations. We employ the G 0 W 0 formalism based on hybrid-functional calculations to compute the quasiparticle band structure and density of states for which we find good agreement with results from photoemission and two-photon absorption experiments. We also address open questions regarding the band ordering and band symmetries. In a second step we use our electronic structure as a starting point to calculate optical spectra by solving the Bethe-Salpeter equation including the electron-hole interaction. The dielectric tensor is predicted for a wide range of photon energies. Our results resolve the long-standing discrepancy between theory and experiment on the highly anisotropic onsets of absorption. The anisotropy can be explained in terms of dipole-allowed direct transitions in the vicinity of the valence-band maximum without having to invoke lower lying valence bands.
“…26,28 The agreement of a VBM of Γ + 3 also settled the symmetry assignment of the Sn s-derived conduction-band minimum (CBM) as Γ + 1 , as suggested by experimental arguments 13,14,29 and calculations. 9,11 The experimental results largely agree that the lowest dipole-allowed direct (direct-allowed) transition features a strong polarization anisotropy, but the origin of this transition is heavily debated. Experimental 10 as well as theoretical [7][8][9]11 reports are plagued by inconsistencies in the ordering and relative energies of the lower-lying VB states.…”
Section: Introductionmentioning
confidence: 82%
“…9,11 The experimental results largely agree that the lowest dipole-allowed direct (direct-allowed) transition features a strong polarization anisotropy, but the origin of this transition is heavily debated. Experimental 10 as well as theoretical [7][8][9]11 reports are plagued by inconsistencies in the ordering and relative energies of the lower-lying VB states. Nagasawa and Shionoya reported an allowed transition value of 3.75 eV for light polarized perpendicular to the tetragonal c axis (E ⊥ c), which they associated with a VB of symmetry Γ − 5 lying 0.15 to 0.20 eV below the VBM.…”
Section: Introductionmentioning
confidence: 82%
“…Despite the vast experimental and theoretical literature on SnO 2 , many discrepancies and unsolved issues remain. These include details of the valence-band (VB) ordering and band symmetries, 7-10 the role of indirect transitions, 9,11,12 and the exciton spectrum. 10,[13][14][15] Although SnO 2 is widely used for its optical properties, its dielectric function is not available in the literature.…”
The structural, electronic, and optical properties of the semiconducting oxide SnO 2 are investigated using first-principles calculations. We employ the G 0 W 0 formalism based on hybrid-functional calculations to compute the quasiparticle band structure and density of states for which we find good agreement with results from photoemission and two-photon absorption experiments. We also address open questions regarding the band ordering and band symmetries. In a second step we use our electronic structure as a starting point to calculate optical spectra by solving the Bethe-Salpeter equation including the electron-hole interaction. The dielectric tensor is predicted for a wide range of photon energies. Our results resolve the long-standing discrepancy between theory and experiment on the highly anisotropic onsets of absorption. The anisotropy can be explained in terms of dipole-allowed direct transitions in the vicinity of the valence-band maximum without having to invoke lower lying valence bands.
“…The SnO 2 lm is a transparent conductive coating material and a n-type semiconductor with a wide band gap (approximately 3.7 eV) [1] and tetragonal rutile structure. The SnO 2 lm shows the best thermal and chemical stability, it is inexpensive, and it has good adhesion to most of the substrates, however it has a high resistivity.…”
In this study, the reversible capacities, as well as the cycling behavior, of crystalline antimony-doped tin oxide (ATO) lms have been investigated. ATO lms were deposited on Cr-coated stainless steel substrates by the RF magnetron sputtering technique, with antimony-doped tin oxide (SnO2:Sb) target in a mixed oxygen/argon gas environment. The ATO lms were deposited for 1.0 h in a mixture of Ar and O2 environment with O2/Ar ratio of 10/90, at sputtering power of 75 W, 100 W and 125 W RF. ATO lms were examined by X-ray diraction (XRD), eld emission scanning electron microscopy (FESEM). The electrochemical properties of ATO anodes were studied using 2016-type coin cells assembled in an argon-lled glove box.
“…The SnO 2 lm is a transparent conductive coating material and an n-type semiconductor with a wide band gap (approximately 3.7 eV) [1] and has tetragonal rutile structure. The SnO 2 lm shows the best thermal and chemical stability, it is inexpensive, and it has good adhesion to most of the substrates, but it has high resistivity.…”
In this work, antimony doped tin oxide (SnO2:Sb) thin lms were fabricated using a radio frequency magnetron sputtering system on Si wafer and glass substrates. The base pressure in the sputtering chamber was 1.0 Pa. The SnO2:Sb thin lms were deposited for 1.0 h in a mixture of Ar and O2 environment with O2/Ar ratio of 10/90 at 75, 100, and 125 W RF sputtering powers. The microstructure of SnO2:Sb thin lms was assessed using a eld emission scanning electron microscopy. The crystallographic structure of the sample was determined by X-ray diraction. The average surface roughness (Ra) was measured with atomic force microscopy. The electrical resistivity of the deposited lms was measured by the four-point-probe method. The thicknesses of the lms were measured by surface proler.
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