相变
静水压力
固体氮
凝聚态物理
相(物质)
金刚石顶砧
作者
Chris J. Pickard,Richard J. Needs
标识
DOI:10.1103/physrevlett.102.125702
摘要
Density-functional-theory calculations and a structure-searching method are used to identify candidate high-pressure phases of nitrogen. We find six structures which are calculated to be more stable than previously studied structures at some pressures. Our four new molecular structures give insight into the most efficient packings of nitrogen molecules at high pressures, and we predict two new nonmolecular structures to be stable at very high pressures.
科研通智能强力驱动
Strongly Powered by AbleSci AI