固氢金属化转变压力的理论计算

Theoretical Calculation of Transformation Pressure in Solid Hydrogen Metallization

1.
Department of Physics, Yanbian University, Yanji 133002, China;
2.
National Laboratory of Superhard Material, Jilin University, Changchun 130023, China

摘要: 利用简单金属的赝势理论方法计算了固氢的金属转变压力，并探讨了金属氢可能的晶体结构及力、热物性。计算结果表明，在绝对零度条件下，分子态固氢（HCP结构）向原子相金属氢（FCC结构）的转变压力pt=465.95 GPa。
- 固氢 /
- 金属氢 /
- 转变压力
Abstract: In this paper, the metallic transformation pressure of solid hydrogen is calculated by using the simple metal Pseudopotential method, the possible structures of metallic hydrogen as well as the mechanical and thermal properties of this matter are investigated. The calculation shows that the transformation pressure is pt=465.95 GPa, at which the molecular state solid hydrogen (HCP structure) transforms into atomic phase metallic hydrogen (FCC structure) under absolute zero temperature condition.
- solid hydrogen /
- metallic hydrogen /
- transformation pressure

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