Stability of Ge-related point defects and complexes in Ge-doped SiO2

Article

关键词: TOTAL-ENERGY CALCULATIONS;    WAVE BASIS-SET;    PARAMAGNETIC CENTERS;    SIO2-GEO2 GLASSES;    FIRST-PRINCIPLES;    OPTICAL-FIBER;    E' CENTER;    SILICA;    IRRADIATION;    HYDROGEN;   

DOI  :  10.1103/PhysRevB.66.233201

来源: SCIE

【 摘 要 】

We analyze Ge-related defects in Ge-doped SiO2 using first-principles density functional techniques. Ge is incorporated at the level of similar to1 mol % and above. The growth conditions of Ge:SiO2 naturally set up an oxygen deficiency relative to undoped SiO2, with vacancy concentrations increasing by a factor of 10(5) and O vacancies binding strongly to Ge impurities. All the centers considered exhibit potentially EPR-active states, candidates for identification as the Ge(n) centers. Substitutional Ge produces an apparent gap shrinking via its extrinsic levels.

【 授权许可】

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