Thermodynamic modeling of the Hf-Si-O system
| dc.creator | Shin, Dongwon | |
| dc.creator | Arróyave, Raymundo | |
| dc.creator | Liu, Zi-Kui | |
| dc.date | 2007-08-30 | |
| dc.date.accessioned | 2026-07-07T08:26:50Z | |
| dc.date.available | 2026-07-07T08:26:50Z | |
| dc.description | The Hf-O system has been modeled by combining existing experimental data and first-principles calculations results through the CALPHAD approach. Special quasirandom structures of $α$ and $β$ hafnium were generated to calculate the mixing behavior of oxygen and vacancies. For the total energy of oxygen, vibrational, rotational and translational degrees of freedom were considered. The Hf-O system was combined with previously modeled Hf-Si and Si-O systems, and the ternary compound in the Hf-Si-O system, HfSiO$_4$ has been introduced to calculate the stability diagrams pertinent to the thin film processing. | |
| dc.description | 13 pages, 11 figures | |
| dc.identifier | https://arxiv.org/abs/0708.4239 | |
| dc.identifier | http://arxiv.org/abs/0708.4239 | |
| dc.identifier | CALPHAD, 30(4), 375-386 (2006) | |
| dc.identifier | doi:10.1016/j.calphad.2006.08.006 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/137078 | |
| dc.subject | Materials Science | |
| dc.title | Thermodynamic modeling of the Hf-Si-O system | |
| dc.type | text |