Energy band structure and X-ray spectra of phenakite Be2SiO4 / Shein I. R.,Wilks R.,Moewes A.,Kurmaev E. Z.,Zatsepin D. A.,Kukharenko A. I.,Cholakh S. O. // PHYSICS OF THE SOLID STATE. - 2008. - V. 50, l. 4. - P. 615-620.

ISSN/EISSN:

1063-7834 / нет данных

Type:

Article

Abstract:

The electronic structure of crystalline phenakite Be2SiO4 is investigated using x-ray emission spectroscopy (XES) (Be K-alpha XES, Si L-2,L-3 XES, O K-alpha XES) and x-ray absorption spectroscopy (XAS) (Be 1s XAS, Si 2p XAS, O 1s XAS). The energy band structure is calculated by the ab initio full-potential linearized augmented-plane-wave (FLAPW) method. The total and partial densities of states and the dispersion curves for the Be2SiO4 compound are presented. It is shown that the top of the valence band and the bottom of the conduction band of the Be2SiO4 compound are predominantly formed by the oxygen 2p states. According to the results obtained, the electron transition with the lowest energy supposedly can occur at the center of the Brillouin zone. The effective masses of electrons (0.5m(e)) and holes (3.0m(e)) for the Be2SiO4 compound are estimated.

Author keywords:

EMISSION SPECTRA; QUARTZ

DOI:

10.1134/S1063783408040045

Web of Science ID:

ISI:000255554100004

Соавторы в МНС:

Другие поля

Поле	Значение
Month	APR
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
Keywords-Plus	EMISSION SPECTRA; QUARTZ
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	shein@ihim.uran.ru
ResearcherID-Numbers	Kurmaev, Ernst/J-4254-2013 Cholakh, Seif/M-8221-2016 Shein, Igor/H-3436-2016 Kukharenko, Andrey/M-8256-2016 Zatsepin, Dmitry/F-5520-2012
ORCID-Numbers	Kurmaev, Ernst/0000-0003-4625-4930 Cholakh, Seif/0000-0002-9313-6614 Shein, Igor/0000-0003-0153-0225 Kukharenko, Andrey/0000-0003-3774-6909
Number-of-Cited-References	20
Usage-Count-Since-2013	12
Journal-ISO	Phys. Solid State
Doc-Delivery-Number	296NW