Syntheses, crystal and electronic structure, and some optical and transport properties of LnCuOTe (Ln=La, Ce, Nd)

Liu, Min Ling; Wu, Li; Huang, Fu Qiang; Chen, Lidong; Ibers, James A.

doi:10.1016/j.jssc.2006.09.014

Cited by 61 publications

(50 citation statements)

References 45 publications

(61 reference statements)

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“…Although Cu 2 ZnSnS 4 is a normal semiconductor exhibiting a thermally activated behavior for σ, the strong thermal activation is largely removed by Cu-doping. Selenide samples show a metallic behavior in analogy to the reported trend for LaCuOQ (Q = S, Se, Te): the sulfide and selenide are semiconductive, and the telluride is metallic [47]. A flat σ(T ) has also been observed in LnCuOTe (Ln = La, Ce, Nd) [47] and is indicative of the metallic behavior with a relatively short mean free path limited by defect/impurity scattering rather than phonon scattering.…”

Section: −X Zn X S Thin Films For the Buffer Layersupporting

confidence: 58%

“…A flat σ(T ) has also been observed in LnCuOTe (Ln = La, Ce, Nd) [47] and is indicative of the metallic behavior with a relatively short mean free path limited by defect/impurity scattering rather than phonon scattering. These features are all consistent with the interpretation that hole conductivity comes from the hybridization of Cu 3d with Q np (Q np = S 3p, Se 4p, Te 5p) near the VBM [47].…”

Section: −X Zn X S Thin Films For the Buffer Layermentioning

confidence: 80%

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Advanced solar materials for thin-film photovoltaic cells

2011

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As one of the most promising solutions for the green energy, thin-film photovoltaic cell technology is still immature and far from large-scale industrialization. The major issue is getting low cost and stable module efficiency. To solve these problems, a large amount of advanced solar materials have been developed to improve all parts of solar cell modules. Here, some new solar material developments applied in different critical parts of chalcogenide thin-film photovoltaic cells are reviewed. The main efforts are focused on improving light trapping and antireflection, internal quantum efficiency and collection of photo-generated carriers.

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Section: −X Zn X S Thin Films For the Buffer Layersupporting

confidence: 58%

Section: −X Zn X S Thin Films For the Buffer Layermentioning

confidence: 80%

Advanced solar materials for thin-film photovoltaic cells

2011

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“…the main structural unit for the superconducting performance, thus significantly influencing the superconducting behavior. Similarly, in the p-type transparent conducting material LnCuOTe (Ln = La, Ce, Nd) 12 and BaCuQF (Q = S, Se), 13 the hole conduction is realized via the covalent Cu 2 Q 2 layers, which form the valence band maximum, whereas the large band gap and the high transparent quality are maintained through the ionic Ln 2 O 2 or Ba 2 F 2 layers confining the Cu−S bonds in the CuS layers.…”

Section: ■ Introductionmentioning

confidence: 99%

Ba₂AsGaSe₅: A New Quaternary Selenide with the Novel [AsGaSe₅]^4– Cluster and Interesting Photocatalytic Properties

Huang

et al. 2015

Inorg. Chem.

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The new zero-dimensional selenide Ba2AsGaSe5 was synthesized via a solid-state reaction at 900 °C. It belongs to the orthorhombic space group Pnma with a = 12.632(3) Å, b = 8.9726(18) Å, c = 9.2029(18) Å, and Z = 4. In the structure, the As atom adopts trigonal-pyramidal coordination owing to the stereochemically active 4s(2) lone pair electrons and the Ga atom is tetrahedrally coordinated with four Se atoms. The AsSe3 trigonal pyramids share edges with GaSe4 tetrahedra to form novel [AsGaSe5](4-) clusters, which are further separated from each other by Ba(2+) cations. The optical band gap was determined as 1.39 eV according to UV-vis-NIR diffuse reflectance spectroscopy. Interestingly, the photocatalytic behavior investigated by decomposing rhodamine B indicates that the compound displays a 6.5 times higher photocatalytic activity than does P25.

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“…S1(c) in the Supporting Information 35 ) and that do not contribute to transport. [18][19][20] . This is a highly desirable feature in the band structure to realize a p-type transparent conducting material.…”

Section: C4 Intrinsic Hole Content In the γ Phasementioning

confidence: 99%

“…17 O 30 . Here, we propose the first intrinsic hole transparent conductor in a layered oxide-sulfide, specifically La 5 Cu 6 O 4 S 7 , [18][19][20][21][22] having, in addition, a new mechanism based on remarkable deviations from the standard Peierls dimerization expected in regular one dimensional systems. This compound was observed 18 to have the layered structure shown in Figure 1(b).…”

Section: Introductionmentioning

confidence: 99%

Incomplete Peierls-like chain dimerization as a mechanism for intrinsic conductivity and optical transparency: A La-Cu-O-S phase with mixed-anion layers as a case study

Trimarchi

Poeppelmeier

et al. 2015

Phys. Rev. B

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The family of La-based copper oxide sulfides includes LaCuOS, the prototypical transparent conducting oxide sulfide when doped, as well as La 5 Cu 6 O 4 S 7 a compound with a layered structure analogous to LaCuOS but with a row of O atoms substituted by S atoms in the LaO layer. We propose that La 5 Cu 6 O 4 S 7 is the first instance of an oxide-sulfide intrinsic transparent conductor (i.e., not requiring doping).Such a 1D chain feature in related systems often promotes a Peierls distortion with respect to the equispaced chain whereby adjacent atoms form dimers, a distortion that is expected to lead to the opening of a band gap and the lowering of the total energy, thus to thermodynamic stability. In La 5 Cu 6 O 4 S 7 we find that the configuration with undimerized 1D chains (the α phase) is both metallic and thermodynamically unstable. The fully dimerized, Peierls configurations (the β phase) exhibits an insulating band gap, however it is energetically unstable. The stable structure has chains with a ~66 % degree of dimerization; in this structure the energetically preferred repeating chain motif is one in which two dimers are separated by one S atom, while chain segments with directly adjacent dimers are energetically unfavorable. The stable configuration is metallic with electron depletion in the Cu 2 S 2 layer with respect to the Cu d 10 valence configuration that effectively amounts to creating a hole in the Cu bands that the valence maximum. In the stable partially dimerized phase the intra-band, plasmonic transitions are weak while the onset of the strong inter-band transitions is at around 3 eV which are both properties that enable transparency. In this paper we explain (i) why La 5 Cu 6 O 4 S 7 has an incomplete Peierls distortion, (ii) how the incomplete Peierls distortion in La 5 Cu 6 O 4 S 7 creates the unusual coexistence of transparency and conductivity, producing what appears to be the first oxide-sulphide intrinsic transparent conductor, (iii) discuss the agreement between the predicted and the measured structure.

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Syntheses, crystal and electronic structure, and some optical and transport properties of LnCuOTe (Ln=La, Ce, Nd)

Cited by 61 publications

References 45 publications

Advanced solar materials for thin-film photovoltaic cells

Advanced solar materials for thin-film photovoltaic cells

Ba₂AsGaSe₅: A New Quaternary Selenide with the Novel [AsGaSe₅]^4– Cluster and Interesting Photocatalytic Properties

Incomplete Peierls-like chain dimerization as a mechanism for intrinsic conductivity and optical transparency: A La-Cu-O-S phase with mixed-anion layers as a case study

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Syntheses, crystal and electronic structure, and some optical and transport properties of LnCuOTe (Ln=La, Ce, Nd)

Cited by 61 publications

References 45 publications

Advanced solar materials for thin-film photovoltaic cells

Advanced solar materials for thin-film photovoltaic cells

Ba2AsGaSe5: A New Quaternary Selenide with the Novel [AsGaSe5]4– Cluster and Interesting Photocatalytic Properties

Incomplete Peierls-like chain dimerization as a mechanism for intrinsic conductivity and optical transparency: A La-Cu-O-S phase with mixed-anion layers as a case study

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Ba₂AsGaSe₅: A New Quaternary Selenide with the Novel [AsGaSe₅]^4– Cluster and Interesting Photocatalytic Properties