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=4 65 .95GPa。
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 p t=465.95GPa,at which the molecular state solid hydrogen(HCP structure)transforms into atomic phase metallic hydrogen(FCC structure)under absolute zero temperature condition.
出处
《高压物理学报》
CAS
CSCD
北大核心
2001年第3期215-220,共6页
Chinese Journal of High Pressure Physics
