Перевод заглавия: Структурные, спектроскопические и электронные свойства кубического оксифторида G0-Rb2KTiOF5.
Рубрики:
RAY PHOTOELECTRON-SPECTROSCOPY
SURFACE CHEMICAL-STABILITY
EFFECTIVE IONIC-RADII
PHASE-TRANSITIONS
CRYSTAL-GROWTH
HEAT-CAPACITY
CORE LEVELS
RB2KTIOF5
FLUORIDES
OXIDES
RAY PHOTOELECTRON-SPECTROSCOPY
SURFACE CHEMICAL-STABILITY
EFFECTIVE IONIC-RADII
PHASE-TRANSITIONS
CRYSTAL-GROWTH
HEAT-CAPACITY
CORE LEVELS
RB2KTIOF5
FLUORIDES
OXIDES
Аннотация: The G0-Rb2KTiOF5 single crystals with dimensions up to nearly a centimeter in size have been prepared by slow solidification method. The elpasolite-related crystal structure of G0-Rb2KTiOF5 has been refined by Rietveld method at T = 298 K (space group Fm (3) over barm, Z = 4, a = 8.880(1) angstrom, V = 700.16(2) angstrom(3); R-B = 2.66%). The wide optical transparency range of 0.25-9 mu m and forbidden band gap of E-g = 3.87 eV have been obtained for the G0-Rb2KTiOF5 crystal. Dominating photoluminescence bands at 3.36 and 2.33 eV are related to free and self-trapped excitons, respectively. The electronic structure of G0-Rb2KTiOF5 has been evaluated by X-ray photoelectron spectroscopy and calculated with the first-principles methods. A good agreement between theoretical and experimental results has been achieved. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and a wide comparison with related oxides and fluorides. The competition between O2- and F- ions for metal valence electrons has been found.
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Держатели документа:
Russian Acad Sci, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia
Russian Acad Sci, Inst Geol & Mineral, Lab Crystal Growth, Siberian Branch, Novosibirsk 630090, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, Siberian Branch, Novosibirsk 630090, Russia
Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, BCCRD, Beijing 100190, Peoples R China
Russian Acad Sci, Siberian Branch, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Kang, L.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A.