/ A. H. Reshak [et al.]> // J. Phys. Chem. C. - 2016. -
Vol. 120,
Is. 19. - P. 10559-10568,
DOI 10.1021/acs.jpcc.6b01489. - Cited References:85. - This work was partly supported by the Russian Foundation for Basic Research (Grants 15-32-50586 and 15-52-53080). V.V.A. gratefully acknowledges the Ministry of Education and Science of the Russian Federation for the financial support. A.H.R. would like to acknowledge the CENTEM project, reg. no. CZ.1.05/2.1.00/03.0088, cofunded by the ERDF as part of the Ministry of Education, Youth and Sports OP RDI program and, in the follow-up sustainability stage, supported through CENTEM PLUS (LO1402) by financial means from the Ministry of Education, Youth and Sports under the "National Sustainability Programme I". Computational resources were provided by MetaCentrum (LM2010005) and CERIT-SC (CZ.1.05/3.2.00/08.0144) infrastructures.
. - ISSN 1932-7447
Перевод заглавия: Исследование электронной структуры моноклинного альфа-Eu2(MoO4)3: ТФП исследования и рентгеновская фотоэлектронная спектроскопия
РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Аннотация: The powder α-Eu2(MoO4)3 sample was prepared by the solid-state reaction method. The phase purity of the final powder product was verified by X-ray diffraction analysis. The constituent element core levels and valence band are measured by X-ray photoelectron spectroscopy as a function of Ar+ ion (2.5 keV, 7-8 μA/cm2) bombardment time. The formation of Mo5+ and Mo4+ states at high bombardment times was detected. The Eu-O and Mo-O bonding was considered in comparison with other Eu3+- and Mo6+-containing oxides using binding energy difference parameters. The transparency range obtained for the pure α-Eu2(MoO4)3 tablet is λ = 0.41-0.97 μm, as estimated at the transmission level of 5%. The short-wavelength cut edge in α-Eu2(MoO4)3 is governed by the direct allowed
optical transitions within the band gap of Eg = 3.74 eV (300 K). The band structure of α-Eu2(MoO4)3 was calculated by ab initio methods and strongly different results were obtained for the spin up/down configurations. The Eu-4f states are located around 2.2 eV and -4.0 eV for spin up (↑) and the structures situated at around 6.5 and 5.5 eV for spin down (↓) configuration. The calculated spin magnetic moments are in excellent relation to the Slater-Pauling rule and within the Eu sphere the magnetic moment of 4f electrons is ∼5.99 μB. © 2016 American Chemical Society.
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Держатели документа: Univ W Bohemia, New Technol Res Ctr, Univ 8, Plzen 30614, Czech Republic.
Univ Malaysia Perlis, Sch Mat Engn, Ctr Excellence Geopolymer & Green Technol, Kangar 01007, Perlis, Malaysia.
King Saud Univ, Coll Sci, Dept Phys & Astron, Riyadh 11451, Saudi Arabia.
Czech Tech Univ, Fac Mech Engn, Dept Instrumentat & Control Engn, Tech 4, Prague 16607 6, Czech Republic.
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia.
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia.
Novosibirsk State Univ, Lab Semicond & Dielectr Mat, Novosibirsk 630090, Russia.
SB RAS, Baikal Inst Nat Management, Lab Oxide Syst, Ulan Ude 670047, Russia.
Buryat State Univ, Dept Chem, Ulan Ude 670000, Russia.
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
SB RAS, Boreskov Inst Catalysis, Novosibirsk 630090, Russia.
SB RAS, Inst Geol & Mineral, Lab High Pressure Minerals & Diamond Deposits, Novosibirsk 630090, Russia.
Доп.точки доступа: Reshak, Ali H.; Alahmed, Z. A.; Bila, J.; Atuchin, V. V.; Bazarov, B. G.; Chimitova, O. D.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Prosvirin, Igor P.; Yelisseyev, Alexander P.; Russian Foundation for Basic Research [15-32-50586, 15-52-53080]; Ministry of Education and Science of the Russian Federation; CENTEM project - ERDF as part of the Ministry of Education, Youth and Sports OP RDI program [CZ.1.05/2.1.00/03.0088]; CENTEM PLUS - Ministry of Education, Youth and Sports [LO1402]