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Volumn 94, Issue 2, 2009, Pages

Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; BARIUM; ELECTRIC PROPERTIES; GATE DIELECTRICS; GATES (TRANSISTOR); HAFNIUM; HAFNIUM COMPOUNDS; OXYGEN; OXYGEN VACANCIES; SOLID STATE PHYSICS; TRANSISTORS;

EID: 58349117102     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3070534     Document Type: Article
Times cited : (17)

References (20)
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  • 15
    • 43049093755 scopus 로고    scopus 로고
    • 0021-8979 10.1063/1.2903870, (), and references therein.
    • E. Cockayne, J. Appl. Phys. 0021-8979 10.1063/1.2903870 103, 084103 (2008), and references therein.
    • (2008) J. Appl. Phys. , vol.103 , pp. 084103
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  • 16
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    • 0163-1829 10.1103/PhysRevB.47.558.
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, RC558 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 17
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    • 0163-1829 10.1103/PhysRevB.54.11169.
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    • Kresse, G.1    Furthmüller, J.2
  • 18
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    • 0365-110X;, J. Am. Ceram. Soc. 0002-7820 10.1111/j.1151-2916.1985. tb11534.x 68, C-285 (1985).
    • J. Adam and M. D. Rodgers, Acta Crystallogr. 12, 951 (1959) 0365-110X; R. E. Hann, P. R. Suttch, and J. L. Pentecost, J. Am. Ceram. Soc. 0002-7820 10.1111/j.1151-2916.1985.tb11534.x 68, C-285 (1985).
    • (1959) Acta Crystallogr. , vol.12 , pp. 951
    • Adam, J.1    Rodgers, M.D.2    Hann, R.E.3    Suttch, P.R.4    Pentecost, J.L.5
  • 19
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    • The computational band ga(3.9 eV) underestimates the experimental value [5.7 eV (Ref.)] due to the common problem of LDA. Our conclusion, however, is not significantly affected by this issue because all the thermodynamic transition levels considered in this work are in the band ga(Fig.) and the corresponding wave functions are located around the defect sites (Fig.).
    • The computational band gap (3.9 eV) underestimates the experimental value [5.7 eV (Ref.)] due to the common problem of LDA. Our conclusion, however, is not significantly affected by this issue because all the thermodynamic transition levels considered in this work are in the band gap (Fig.) and the corresponding wave functions are located around the defect sites (Fig.).
  • 20
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    • M. Copel, Appl. Phys. Lett. 0003-6951 10.1063/1.2912533 92, 152909 (2008).
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    • Copel, M.1


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