Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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.
в: Chemical Physics Letters, Том 694, 16.02.2018, стр. 18-22.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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