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The effect of dopants on the dielectric constant of and from first principles
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10.1063/1.2828696
/content/aip/journal/apl/92/1/10.1063/1.2828696
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/1/10.1063/1.2828696
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Energy difference per unit between the monoclinic and tetragonal phases of and for the undoped oxides and doped systems at a doping level of 12.5%. Positive energy differences indicate a higher stability for the tetragonal phase. Data points for Hf (Zr) based dielectrics are highlighted by diamonds (squares).

Image of FIG. 2.
FIG. 2.

Energy difference per unit between the monoclinic and tetragonal phases plotted as a function of the ionic radius of the dopant atom. A correlation (lines are guide to the eye) is found if only the dopants of group IV (C, Si, Ge, and Sn) in the periodic table are considered.

Image of FIG. 3.
FIG. 3.

Dielectric constant of and for the undoped oxides and doped systems at a doping level of 12.5%. The dielectric constant in the tetragonal phase (squares) is significantly higher than in the monoclinic phase (diamonds). The highlighted data points correspond to the phase which is energetically favored (see Fig. 1).

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/content/aip/journal/apl/92/1/10.1063/1.2828696
2008-01-03
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The effect of dopants on the dielectric constant of HfO2 and ZrO2 from first principles
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/1/10.1063/1.2828696
10.1063/1.2828696
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