Synthesis, optical properties, and band structures of a series of layered mixed-anion compounds

Iwasa, Yuki; Song, Dongjoon; Agulto, Verdad C.; Yamanoi, Kohei; Shimizu, Toshihiko; Ueda, Jumpei; Hongo, Kenta; Tanabe, Setsuhisa; Sarukura, Nobuhiko

doi:10.1007/s10854-019-01380-3

Cited by 3 publications

(5 citation statements)

References 18 publications

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“…The oxide layers are varied with first transition metal (Sc, 2–5 Mn, 6–11 Fe, 12–15 Co, 7,9,11,16 Ni, 17,18 Cu, 10,19,20 Zn 10,21,22 ), rare earth, 23–29 and main group elements(IIA, 18 IIIA, 30 or VA 31 elements). The unique electric and magnetic properties from various oxide layers make layered oxychalcogenides protentional application in catalysis, 32,33 , magnetics, 7 superconductivity, 19,34 luminescence, 2–4,23 and thermoelectricity 24,26,35–37 . Compared to oxytellurides with expensive and toxic tellurium, oxyselenides are cleaner, and they are easier to synthesis than oxysulfide.…”

Section: Introductionmentioning

confidence: 99%

“…Layered oxychalcogenides with IB elements (Cu/Ag) are natural two-dimensional van der Waals layered compounds with antifluorite negatively charged [Cu 2 Ch 2 ] n− (n = 1-2) or [Ag 2 Ch 2 ] 2− (Ch = S, Se or Te) unit. 1 The oxide layers are varied with first transition metal (Sc, [2][3][4][5] Mn, [6][7][8][9][10][11] Fe, [12][13][14][15] Co, 7,9,11,16 Ni, 17,18 Cu, 10,19,20 Zn 10,21,22 ), rare earth, [23][24][25][26][27][28][29] and main group elements(IIA, 18 IIIA, 30 or VA 31 elements). The unique electric and magnetic properties from various oxide layers make layered oxychalcogenides protentional application in catalysis, 32,33 , magnetics, 7 superconductivity, 19,34 luminescence, [2][3][4]23 and thermoelectricity.…”

Section: Introductionmentioning

confidence: 99%

“…1 The oxide layers are varied with first transition metal (Sc, [2][3][4][5] Mn, [6][7][8][9][10][11] Fe, [12][13][14][15] Co, 7,9,11,16 Ni, 17,18 Cu, 10,19,20 Zn 10,21,22 ), rare earth, [23][24][25][26][27][28][29] and main group elements(IIA, 18 IIIA, 30 or VA 31 elements). The unique electric and magnetic properties from various oxide layers make layered oxychalcogenides protentional application in catalysis, 32,33 , magnetics, 7 superconductivity, 19,34 luminescence, [2][3][4]23 and thermoelectricity. 24,26,[35]…”

Section: Introductionmentioning

confidence: 99%

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Thermoelectric properties of layered oxyselenides with 3d transition metal ions

et al. 2023

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Layered oxychalcogenides have received extensive attention in the fields of magnetism, superconductivity, lithium battery, and luminescence due to their unique electronic, magnetic properties, and layered structure, among which layered oxyselenides have excellent and promising thermoelectric performance, such as BiCuSeO and Bi2LnO4Cu2Se2. Here, we successfully synthesized Sr2MO2Cu2Se2 (M = Co, Ni, Zn) and Sr2FeO3CuSe and investigated the thermoelectric properties at a wide temperature range (298–923 K). They have a relatively high Seebeck coefficient (>300 μV K−1) in medium to high temperature range and possess a low thermal conductivity. The power factor and ZT reach 65 μW m−1 K−1 and 0.07 at 923 K for intrinsic Sr2NiO2Cu2Se2, and a higher performance is expected to be achieved by strategies like carrier concentration optimization and band structure engineering.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Thermoelectric properties of layered oxyselenides with 3d transition metal ions

et al. 2023

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“…However, the electrical properties of the material were not satisfactory for its application as a p-type TCM; in particular, an improvement in conductivity is needed. Because most layered oxychalcogenides have strong ionic bonds in their oxide layers [10][11][12], the cations in the layer, such as those of rare earth metals, are chemically inert. The ions in the oxide layers barely contribute to the band edge.…”

Section: Introductionmentioning

confidence: 99%

Structure, optical, and electrical properties of layered oxychalcogenide Sr₂ZnCu₂(S_1−xSe_x)₂O₂ (0 ≤ x ≤ 1) compounds

Kato,

Iwasa,

Naik

et al. 2023

Mater. Res. Express

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Layered oxychalcogenide Sr2ZnCu2(S1-x Se x )2O2 compounds were synthesized via a solid-state reaction. Density functional theory calculations indicate different valence band maximum, Sr2ZnCu2Se2O2 was composed of Cu 3d–Se 4p, while Sr2ZnCu2S2O2 was dominated by the Zn 3d–O 2p hybrid orbital. Band gap was decreased as the Se-containing is increasing, from 2.5 eV to 2.2 eV. In contrast, electrical conductivity of the Se-substituted samples considerably increased from 10−3 S cm−1 at x = 0 to 10−1 S cm−1 at x = 0.25, and was almost the same at x = 1. Based on this feature, Sr2ZnCu2(S1-x Se x )2O2 can be applied as a transparent conductor material.

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“…These materials possess flexibility in the structure and chemical composition, which allows for control of their physical properties. Several compounds with 32225 or 21113 structures have been reported with Cu Ch ( Ch = S, Se, Te), Ag Ch , or TMPn ( TM = transition metals, Pn = P, As, Sb) layers. ,− However, it is not easy to predict which of these structures can be formed for these phases. For example, the 32225 and 21113 structures have been reported for the Sr–Sc–Cu–S–O system, , while only 21113 has been reported for the Sr–Mn–Cu–S–O system …”

Section: Introductionmentioning

confidence: 99%

Synthesis, Electronic Structure, and Physical Properties of Layered Oxypnictides Sr₂ScCrAsO₃ and Ba₃Sc₂Cr₂As₂O₅

et al. 2021

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New CrAs-based layered mixed-anion compounds Sr2ScCrAsO3 (SrScO-21113) and Ba3Sc2Cr2As2O5 (BaScO-32225) were synthesized, and their electronic structures and physical properties were investigated. The structures of these compounds comprise stacking of the anti-fluorite CrAs layer and perovskite-like SrScO or BaScO layers. The lattice constants of these compounds are relatively longer than those of the related compounds, such as BaCr2As2, owing to the insertion of a large perovskite blocking layer of SrScO/BaScO. While there are variations in the crystal structure of this system, such as 21113 and 32225, their chemical stability calculated by the first-principles calculations indicated that SrScO-21113 is energetically favorable compared to SrScO-32225. The formation energies of BaScO-32225 and BaScO-21113 are close to each other; in the experiment, while there was an indication of BaScO-21113 formation, only BaScO-32225 was formed as a single phase because of the low chemical stability of BaScO-21113. The partial density of states indicates that the majority of states are obtained from the 3d 4-electrons of the Cr element hybridized modestly with p electrons at the Fermi energy. The magnetic properties of these compounds were paramagnetic, and they were different from related compounds, such as BaCr2As2, probably because of their long a-axis lengths. The temperature dependences of the electrical resistivities of both samples were in good agreement with the electronic band structure calculations. The variety of structures in the series of compounds with a CrAs layer results in different physical properties, and further development of new compounds may bring novel functionalities, such as superconductivity.

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Synthesis, optical properties, and band structures of a series of layered mixed-anion compounds

Cited by 3 publications

References 18 publications

Thermoelectric properties of layered oxyselenides with 3d transition metal ions

Thermoelectric properties of layered oxyselenides with 3d transition metal ions

Structure, optical, and electrical properties of layered oxychalcogenide Sr₂ZnCu₂(S_1−xSe_x)₂O₂ (0 ≤ x ≤ 1) compounds

Synthesis, Electronic Structure, and Physical Properties of Layered Oxypnictides Sr₂ScCrAsO₃ and Ba₃Sc₂Cr₂As₂O₅

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Synthesis, optical properties, and band structures of a series of layered mixed-anion compounds

Cited by 3 publications

References 18 publications

Thermoelectric properties of layered oxyselenides with 3d transition metal ions

Thermoelectric properties of layered oxyselenides with 3d transition metal ions

Structure, optical, and electrical properties of layered oxychalcogenide Sr2ZnCu2(S1−x Se x )2O2 (0 ≤ x ≤ 1) compounds

Synthesis, Electronic Structure, and Physical Properties of Layered Oxypnictides Sr2ScCrAsO3 and Ba3Sc2Cr2As2O5

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Structure, optical, and electrical properties of layered oxychalcogenide Sr₂ZnCu₂(S_1−xSe_x)₂O₂ (0 ≤ x ≤ 1) compounds

Synthesis, Electronic Structure, and Physical Properties of Layered Oxypnictides Sr₂ScCrAsO₃ and Ba₃Sc₂Cr₂As₂O₅