A first-principles study on ferroelectric phase formation of Si-doped HfO2 through nucleation and phase transition in thermal process

We have investigated ferroelectric phase formation of Si-doped HfO2 through nucleation and phase transition in the thermal process by first-principles simulation. For the nucleation process from amorphous HfO2 in the thin film during thermal annealing, the tetragonal phase can be thermodynamically p...

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Veröffentlicht in:	Applied physics letters 2020-12, Vol.117 (25)
Hauptverfasser:	Wu, Jixuan, Mo, Fei, Saraya, Takuya, Hiramoto, Toshiro, Kobayashi, Masaharu
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied physics Ferroelectric materials Ferroelectricity First principles Hafnium oxide Mathematical analysis Molecular dynamics Nucleation Phase transitions Silicon Surface energy Thin films
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