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Volumn 80, Issue 3, 2009, Pages

Density functional theory study of self-trapped holes in disordered SiO2

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EID: 69549121507     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.033203     Document Type: Article
Times cited : (17)

References (30)
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    • The model system contains 72 atoms at the measured density of 2.20g/ cm3. The side of the periodically repeated cubic supercell is 10.29. In Ref. we compared to other model systems (Ref.) and experimental data the structural and electronic properties of this model that was also employed to study point defects (Ref.). The electronic structure has been treated using DFT theory at a GGA level, submitted to J. Non-Cryst. Solids.
    • The model system contains 72 atoms at the measured density of 2.20g/ cm3. The side of the periodically repeated cubic supercell is 10.29. In Ref. we compared to other model systems (Ref.) and experimental data the structural and electronic properties of this model that was also employed to study point defects (Ref.). The electronic structure has been treated using DFT theory at a GGA level, submitted to J. Non-Cryst. Solids.


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