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    Mechanism of dopant-vacancy association in α-quartz GeO2

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    Mechanism of dopant-vacancy association in α-quartz GeO2.pdf
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    Type
    Article
    Authors
    Wang, Hao
    Chroneos, Alexander
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2013-02-28
    Permanent link to this record
    http://hdl.handle.net/10754/315743
    
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    Abstract
    Improving the electron mobility of devices such as Ge metal oxide semiconductor field effect transistors requires good Ge/dielectric interfaces. GeO2 thus is reconsidered as a passivation layer for Ge. However, O-vacancies need to be controlled as they have a deleterious impact on the properties. We employ electronic structure calculations to investigate the introduction of trivalent ions (Al, Y, and La) in α-quartz GeO2. The binding energies of the dopant-vacancy pairs reveal that dopants can be used to control the O-vacancies and reduce the induced dangling bonds. It is proposed that the introduction of Al will limit the concentration of O-vacancies at low Fermi energy.
    Citation
    Wang H, Chroneos A, Schwingenschlögl U (2013) Mechanism of dopant-vacancy association in --quartz GeO2. Journal of Applied Physics 113: 083716. doi:10.1063/1.4793786.
    Publisher
    AIP Publishing
    Journal
    Journal of Applied Physics
    DOI
    10.1063/1.4793786
    Additional Links
    http://scitation.aip.org/content/aip/journal/jap/113/8/10.1063/1.4793786
    ae974a485f413a2113503eed53cd6c53
    10.1063/1.4793786
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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