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Information × Registration Number 2118U001446, Article popup.category Стаття Title popup.author popup.publication 01-01-2018 popup.source_user Сумський державний університет popup.source http://essuir.sumdu.edu.ua/handle/123456789/71655 popup.publisher Sumy State University Description Density functional theory (DFT) is a very successful technique to calculating the properties of manyelectron systems from first principles. The bands structures, charge density and density of state (DOS) of monoclinic HfO2 are calculated using Pseudo potential (PP) and Atomic Orbitals (AO) method, within the density functional theory DFT, generalized gradient approximation GGA and local density approximation LDA. Hafnium oxide (HfO2) is a high-k dielectric (dielectric constant k ~ 25 at 300 K, band gap Eg ≈ 6 eV); thermally stable up to 700 ◦C. HfO2 is used in semiconductor manufacturing processes where they are usually used to replace a silicon dioxide gate dielectric. popup.nrat_date 2025-03-24 Close