Electronics Properties of Monoclinic HfO2

Authors Abdelkrim Mostefai1 , Smail Berrah2 , Hamza Abid1

1Applied Materials Laboratory, University of Sidi Bel Abbes, 22000- Sidi Bel Abbes, Algeria

2LMER Laboratory, University of A/ Mira of Bejaia, Algeria

Е-mail mostakrimo@yahoo.fr
Issue Volume 10, Year 2018, Number 6
Dates Received 04 December 2017; revised manuscript received 04 December 2018; published online 18 December 2018
Citation Abdelkrim Mostefai, Smail Berrah, Hamza Abid, J. Nano- Electron. Phys. 10 No 6, 06026 (2018)
DOI https://doi.org/10.21272/jnep.10(6).06026
PACS Number(s) 71.15.Ap, 71.15.Mb
Keywords SiO2 (9) , HfO2 (3) , DFT (35) , Aproximation LDA, Approximation GGA, ADF-BAND (3) , Pseudo-potential (PP), Atomic orbitals (AO), Slater type orbitals (STO).

Density functional theory (DFT) is a very successful technique to calculating the properties of many-electron 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.

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