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Microstructural analysis and optical properties of the halide double perovskite Cs2BiAgBr6 single crystals. / Lozhkina, O. A.; Murashkina, A. A.; Elizarov, M. S.; Shilovskikh, V. V.; Zolotarev, A. A.; Kapitonov, Yu V.; Kevorkyants, R.; Emeline, A. V.; Miyasaka, T.

In: Chemical Physics Letters, Vol. 694, 16.02.2018, p. 18-22.

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@article{7709d42a54c646e6907ea21e71190b64,
title = "Microstructural analysis and optical properties of the halide double perovskite Cs2BiAgBr6 single crystals",
abstract = "Single crystals of the lead-free double perovskite Cs2BiAgBr6 were grown from supersaturated solution. According to characterization by XRD and EBSD methods the perovskite's crystals are of the cubic Fm-3m symmetry with the lattice constant a = 11.20 {\AA}. DFT calculations based on the determined crystal structure reveal that the perovskite is an indirect band gap semiconductor. The recorded low temperature (1.4 K) photoluminescence spectra demonstrate three bands. With help of the ab initio quantum-chemical modeling, the two energetically lowest bands of the spectra we assign to indirect transitions. The third band in our opinion corresponds to the direct band-to-band transition.",
keywords = "DFT, Double perovskites, Lead-free perovskite, Photoluminescence, CS2AGBIBR6, SEMICONDUCTORS",
author = "Lozhkina, {O. A.} and Murashkina, {A. A.} and Elizarov, {M. S.} and Shilovskikh, {V. V.} and Zolotarev, {A. A.} and Kapitonov, {Yu V.} and R. Kevorkyants and Emeline, {A. V.} and T. Miyasaka",
year = "2018",
month = feb,
day = "16",
doi = "10.1016/j.cplett.2018.01.031",
language = "English",
volume = "694",
pages = "18--22",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Microstructural analysis and optical properties of the halide double perovskite Cs2BiAgBr6 single crystals

AU - Lozhkina, O. A.

AU - Murashkina, A. A.

AU - Elizarov, M. S.

AU - Shilovskikh, V. V.

AU - Zolotarev, A. A.

AU - Kapitonov, Yu V.

AU - Kevorkyants, R.

AU - Emeline, A. V.

AU - Miyasaka, T.

PY - 2018/2/16

Y1 - 2018/2/16

N2 - Single crystals of the lead-free double perovskite Cs2BiAgBr6 were grown from supersaturated solution. According to characterization by XRD and EBSD methods the perovskite's crystals are of the cubic Fm-3m symmetry with the lattice constant a = 11.20 Å. DFT calculations based on the determined crystal structure reveal that the perovskite is an indirect band gap semiconductor. The recorded low temperature (1.4 K) photoluminescence spectra demonstrate three bands. With help of the ab initio quantum-chemical modeling, the two energetically lowest bands of the spectra we assign to indirect transitions. The third band in our opinion corresponds to the direct band-to-band transition.

AB - Single crystals of the lead-free double perovskite Cs2BiAgBr6 were grown from supersaturated solution. According to characterization by XRD and EBSD methods the perovskite's crystals are of the cubic Fm-3m symmetry with the lattice constant a = 11.20 Å. DFT calculations based on the determined crystal structure reveal that the perovskite is an indirect band gap semiconductor. The recorded low temperature (1.4 K) photoluminescence spectra demonstrate three bands. With help of the ab initio quantum-chemical modeling, the two energetically lowest bands of the spectra we assign to indirect transitions. The third band in our opinion corresponds to the direct band-to-band transition.

KW - DFT

KW - Double perovskites

KW - Lead-free perovskite

KW - Photoluminescence

KW - CS2AGBIBR6

KW - SEMICONDUCTORS

UR - http://www.scopus.com/inward/record.url?scp=85041417063&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2018.01.031

DO - 10.1016/j.cplett.2018.01.031

M3 - Article

AN - SCOPUS:85041417063

VL - 694

SP - 18

EP - 22

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

ER -

ID: 28208340