Siam Physics Congress 2015

Electronic and dynamical properties of YH$_{\textrm{x}}$ (2.83 < x $\leq$ 3.00)

21 May 2015, 08:00

3h

Board: CON-04

Poster presentation Condensed Matter Physics Poster-2

Speaker

Mr Anuphong Thongted (Department of Physics, Faculty of Science, Chulalongkorn University, THAILAND 10330)

Description

According to thin film experiments, the electronic property of yttrium-hydride (YHx) system changes as a function of hydrogen concentration. The transformation of yttrium dihydride (YH${}_2$) into yttrium trihydride (YH${}_3$) structure by hydrogenation causes its resistivity to increase rapidly, and is constant after the YH${}_{2.85}$ is formed. We used *ab-initio* calculations to study the electronic and dynamical properties of YH${}_x$ hcp phase, where 2.83 < $x \leq$ 3.00, by removing hydrogen atoms at different sites. Results show metal-to-semiconductor transition with increasing hydrogen content, consistent to the experiment.