D $_2$在石墨烷上的零温phase diagram
Zero-temperature phase diagram of D$_2$ physisorbed on graphane
摘要：
用扩散蒙特卡罗方法测定了D $_2$在石墨烷上物理吸附的零温相图。使用的基质是C-石墨烷，其是通过石墨烯氢化实验获得的化合物的同素异形体形式。我们发现，基态是$δ$相，一个相称的结构实验观察到的D $_2$吸附在石墨上时，而不是注册的$\sqrt 3 \times \sqrt 3$结构特性的H $_2$在同一基板上。
英文摘要：
We determined the zero-temperature phase diagram of D$_2$ physisorbed on graphane using the diffusion Monte Carlo method. The substrate used was C-graphane, an allotropic form of the compound that has been experimentally obtained through hydrogenation of graphene. We found that the ground state is the $δ$ phase, a commensurate structure observed experimentally when D$_2$ is adsorbed on graphite, and not the registered $\sqrt 3 \times \sqrt 3$ structure characteristic of H$_2$ on the same substrate.
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