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• W2003965276 abstract "Ab initio calculations are used to investigate the electronic structure and dielectric properties of crystalline monoclinic hafnium silicates (Hf1-xSixO2) as a function of silicon content x (x = 0, 0.25, 0.50, and 0.75). Densities of states (DOS), electronic band gaps, dielectric constants of Hf1-xSixO2 are calculated through a screened exchange (sX) method within the local density approximation (LDA). The sX method has been found to give good band gap for HfO2 dielectric. Band gaps of Hf1-xSixO2 are shown to increase with increasing concentration x of silicon. Static dielectric constants of Hf1-xSixO2 are observed to decrease with increasing the Si content. Results suggest that the optimal Si concentration should be below 25%, for which the permittivity higher than 13 can be achieved. Our calculations are in very good agreement with recent experimental findings." @default.
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• W2003965276 date "2010-06-01" @default.
• W2003965276 modified "2023-09-27" @default.
• W2003965276 title "First principles calculations of electronic and dielectric properties of hafnium silicates" @default.
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• W2003965276 doi "https://doi.org/10.1088/1757-899x/12/1/012013" @default.
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