/ V. V. Atuchin [et al.]> // Dalton Trans. - 2015. -
Vol. 44,
Is. 4. - P. 1805-1815,
DOI 10.1039/c4dt03203a. - Cited References: 121. - VVA and ASA gratefully acknowledge the Ministry of Education and Science of the Russian Federation for financial support. ZL acknowledges the support by National Natural Science Foundation of China (11174297 and 11474292), the National Basic Research Project of China (2011CB922204), and Foundation of the Director of Technical Institute of Physics and Chemistry, CAS. The work was partially supported by RAS Project 24-29 and RFBR Grant 13-02-00825.
. - ISSN 1477-9226. - ISSN 1477-9234
Перевод заглавия: Электронная структура бета-RbSm(MoO4)2 и химическая связь в молибдатах
РУБ Chemistry, Inorganic & Nuclear
Аннотация: Microcrystals of orthorhombic rubidium samarium molybdate, beta-RbSm(MoO4)(2), have been fabricated by solid state synthesis at T = 450 degrees C, 70 h, and at T = 600 degrees C, 150 h. The crystal structure has been refined by the Rietveld method in space group Pbcn with cell parameters a = 5.0984(2), b = 18.9742(6) and c = 8.0449(3) angstrom (R-B = 1.72%). Thermal properties of beta-RbSm(MoO4)(2) were traced by DSC over the temperature range of T = 20-965 degrees C, and the earlier reported β ↔ α phase transition at T similar to 860-910 degrees C was not verified. The electronic structure of beta-RbSm(MoO4) 2 was studied by employing theoretical calculations and X-ray photoelectron spectroscopy. It has been established that the O 2p-like states contribute mainly to the upper part of the valence band and occupy the valence band maximum, whereas the Mo 4d-like states contribute mainly to the lower part of the valence band. Chemical bonding effects have been analysed from the element core level binding energy data. In addition, it was found that the luminescence spectrum of beta-RbSm(MoO4)(2) is rather peculiar among the Sm3+ containing materials. The optical refractive index dispersion in beta-RbSm(MoO4)(2) was also predicted by the first-principles calculations.
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Держатели документа: RAS, Inst Semicond Phys, Lab Opt Mat & Struct, SB, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielectr Mat, Novosibirsk 630090, Russia
RAS, Kirensky Inst Phys, Lab Coherent Opt, SB, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
RAS, Baikal Inst Nat Management, Lab Oxide Syst, SB, Ulan Ude 670047, Russia
Gen Res Inst Nonferrous Met, Beijing 100088, Peoples R China
RAS, Inst Semicond Phys, Lab Nanodiagnost & Nanolithog, SB, Novosibirsk 630090 90, Russia
RAS, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, SB, Novosibirsk 630090 90, Russia
RAS, Kirensky Inst Phys, Lab Crystal Phys, SB, Krasnoyarsk 660036, Russia
RAS, Kirensky Inst Phys, Lab Mol Spect, SB, Krasnoyarsk 660036, Russia
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China
Доп.точки доступа: Atuchin, V. V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Chimitova, O. D.; Diao, C. P.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Bazarov, B. G.; Bazarova, J. G.; Lin, Z. S.; Ministry of Education and Science of the Russian Federation; National Natural Science Foundation of China [11174297, 11474292]; National Basic Research Project of China [2011CB922204]; Foundation of the Director of Technical Institute of Physics and Chemistry, CAS; RAS [24-29]; RFBR [13-02-00825]