Structural and electronic properties of peroxy linkage defect and its interconversion in fused silica
Tài liệu tham khảo
Hongjie, 2013, Subsurface defects of fused silica optics and laser induced damage at 351nm, Opt. Express, 21, 12204, 10.1364/OE.21.012204
Laurence, 2012, Extracting the distribution of laser damage precursors on fused silica surfaces for 351nm, 3ns laser pulses at high fluences (20–150J/cm2), Opt. Express, 20, 11561, 10.1364/OE.20.011561
Kresse, 2012, Optical and electronic properties of Si3N4 and α-SiO2, Phys. Rev. B, 85, 045205, 10.1103/PhysRevB.85.045205
Kuo, 2006, Structure and interconversion of oxygen-vacancy-related defects on amorphous silica, Phys. Rev. Lett., 97, 066101, 10.1103/PhysRevLett.97.066101
Robertson, 1988
Nagasawa, 1987, Jpn. Effect of oxygen content on defect formation in pure-silica core fibers, J. Appl. Phys., 26, 554, 10.1143/JJAP.26.L554
Edwards, 1982, Theory of the peroxy-radical defect in a-Si02, Phys. Rev. B, 26, 6649, 10.1103/PhysRevB.26.6649
Skuja, 2001, Laser-induced color centers in silica, SPIE Int. Soc. Opt. Eng., 4347, 155
Pacchioni, 1998, Ab initio theory of optical transitions of point defects in Si02, Phys. Rev. B, 57, 818, 10.1103/PhysRevB.57.818
Stefanov, 1999, Photoabsorption of the peroxide linkage defect in silicate glasses, J. Chem. Phys., 111, 8039, 10.1063/1.480137
Raghavachari, 2002, Optical properties of point defects in SiO2 from time-dependent density functional theory, J. Chem. Phys., 116, 825, 10.1063/1.1423664
Hosono, 1990, J. Bleaching of peroxy radical in SiO2 glass with 5eV light, Non-Cryst. Solids, 116, 289, 10.1016/0022-3093(90)90705-Q
Radtsig, 1999, Point defects on silica surface: structure and reactivity, Kinet. Catal., 40, 693
Weeks, 1963, 869
Boscaino, 1996, Photoluminescence band at 4.4eV in oxygen-deficient silica: temperature effects, Methods Phys. Res. B, 113, 373
Agnello, 1801, Modifications of optical absorption band of Er’ center in silica, J. Non-Cryst. Solids, 351, 2005
Ginhoven, 2003, An ab initio study of self-trapped excitons in α-quartz, J. Chem. Phys., 118, 6582, 10.1063/1.1559139
Donadio, 2001, Ab initio simulations of photoinduced interconversions of oxygen centers in amorphous silica, Phys. Rev. Lett., 87, 195504, 10.1103/PhysRevLett.87.195504
Lu, 2014, Vanadium doping on magnetic properties of H-passivated ZnO nanowires, J. Mater. Sci., 49, 3177, 10.1007/s10853-014-8020-y
Meng, 2015, Structural and optical properties of point defects in a-SiO2 cluster, Commun. Theor. Phys., 64, 244, 10.1088/0253-6102/64/2/244
R.W. Godby, M. Schluter, L. J. Sham, Self-energy operators and exchange-correlation potentials in semiconductors, Phys. Rev. B. vol.37, Num.17 (1988) 10159.
LARS HKDIN, New method for calculating the one-particle Green's function with application to the electron-gas problem*, Phys. Rev. vol.139, Num 3A, (1965) A796.
Mozzi, 1969, The structure of vitreous silica, J. Appl. Crystallogr., 2, 164, 10.1107/S0021889869006868
Kresse, 1993, Ab initio molecular dynamics for liquid metals, Phys. Rev. B, 47, 558, 10.1103/PhysRevB.47.558
Kresse, 1994, Ab initio molecular-dynamics simulation of the liquid-metal- amorphous-semiconductor transition in germanium, Phys. Rev. B, 49, 14251, 10.1103/PhysRevB.49.14251
Perdew, 1996, Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865
Onida, 2002, Electronic excitations: density-functional versus many-body Green's-function approaches, Rev. Mod. Phys., 74, 601, 10.1103/RevModPhys.74.601
Giordano, 2007, Electron trapping at point defects on hydroxylated silica surfaces, Phys. Rev. Lett., 99, 136801, 10.1103/PhysRevLett.99.136801
Henkelman, 2000, A climbing image nudged elastic band method for finding saddle points and minimum energy paths, J. Chem. Phys., 113, 9901, 10.1063/1.1329672
Pratt, 2005, Computational strategies for evaluating barrier heights for gas-phase reactions of lithium enolates, J. Org. Chem., 70, 4279, 10.1021/jo0503409
Boero, 2003, E' centers in alpha quartz in the absence of oxygen vacancies: a first-principles molecular-dynamics study, Phys. Rev. Lett., 91, 206401, 10.1103/PhysRevLett.91.206401
S. Agnello, G. Buscarino, F. M. Gelardi, and R. Boscaino, optical absorption band at 5.8eV associated with the E'r centers in amorphous silicon dioxide: optical absorption and EPR measurements, PHYSICAL REVIEW B 77, (2008)195206.