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摘要
A combination of static and dynamical first-principles electronic calculations of silane, SiH(4), at high pressure has revealed a novel monoclinic structure with C2/ c symmetry. This high-pressure phase is metallic and composed of layers of SiH4 bridged by H bonds. Perturbative linear response calculations at 90 and 125GPa predict large electron-phonon couplings yielding an electron-phonon coupling parameter lambda close to 0.9.
- 出版日期2007
- 单位吉林大学
