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Volumn 79, Issue 10, 2009, Pages

Ab initio determination of ion traps and the dynamics of silver in silver-doped chalcogenide glass

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EID: 65249172538     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.100201     Document Type: Article
Times cited : (19)

References (25)
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    • FIREBALL did not include polarization orbitals; VASP uses an essentially complete basis.
    • FIREBALL did not include polarization orbitals; VASP uses an essentially complete basis.
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    • For Fig. 1, a cell depleted of all but one Ag was used. We repeated the calculation on a relaxed cell of 96 atoms of GeSe3 and one Ag with very similar results.
    • For Fig. 1, a cell depleted of all but one Ag was used. We repeated the calculation on a relaxed cell of 96 atoms of GeSe3 and one Ag with very similar results.


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