Инд. авторы: Mashkovtsev R.I., Pan Y.
Заглавие: Biradical states of oxygen-vacancy defects in α-quartz: Centers
Библ. ссылка: Mashkovtsev R.I., Pan Y. Biradical states of oxygen-vacancy defects in α-quartz: Centers // Physics and Chemistry of Minerals. - 2011. - Vol.38. - Iss. 8. - P.647-654. - ISSN 0342-1791. - EISSN 1432-2021.
Внешние системы: DOI: 10.1007/s00269-011-0437-0; SCOPUS: 2-s2.0-79960731934;
Реферат: eng: Several new radiation defects with total electron spin S = 1 occurring in electron-irradiated, synthetic α-quartz have been observed by using electron paramagnetic resonance spectroscopy. These defects are considered to be biradicals, i. e., pairs of S = 1/2 species. The concentration of these centers depends on the condition of the fast-electron irradiation. They have different decay behaviors that allow measurements of any individual species especially when it predominates over the others. The primary spin Hamiltonian parameter matrices g1, g2, D have now been determined for two similar defects, which herein are labeled. Inter-electron distances estimated by using the magnetic dipole model, suggest that the structures of centers, both involve the unpaired electrons each located in orbitals of two silicon atoms next to a common oxygen vacancy but which have slightly different Si-Si distances at 0.90 and 0.79 nm, respectively. This model is consistent with previous DFT calculations of the triplet configurations with local energetic minima. Observed decay behaviors suggest a transformation of centers, center. These triplet centers in quartz provide new insights into the structures of analogous defects in amorphous silica. © 2011 Springer-Verlag.
Ключевые слова: Electron spin resonance spectroscopy; Electrons; silica; radiation damage; quartz; oxygen; irradiation; electron spin resonance; electron; defect; concentration (composition); Oxygen vacancies; Spectroscopy; Semiconducting silicon compounds; Quartz; Paramagnetism; Paramagnetic resonance; Oxygen; Defects; Electron irradiation; Unpaired electrons; Spin triplet; Spin Hamiltonian parameters; Silicon atoms; Radiation-induced; Radiation defects; Orbitals; Magnetic dipole model; Electron spins; Electron paramagnetic resonance spectroscopy; DFT calculation; Biradicals; Amorphous silica; Spin triplet states; Radiation-induced centers; Quartz; Oxygen vacancies; EPR; Crystal atomic structure;
Издано: 2011
Физ. характеристика: с.647-654