Zero-temperature phase diagram of D2 physisorbed on graphane

被引：3

作者：

Carbonell-Coronado, C. ^{[1
]}

De Soto, F. ^{[1
]}

Cazorla, C. ^{[2
]}

Boronat, J. ^{[3
]}

Gordillo, M. C. ^{[1
]}

机构：

[1] Univ Pablo Olavide, Dept Sistemas Fis Quim & Nat, E-41013 Seville, Spain

[2] ICMAB CSIC, Inst Ciencia Mat Barcelona, E-08193 Bellaterra, Spain

[3] Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08034 Barcelona, Spain

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2013年 / 25卷 / 44期

关键词：

TRANSITION; H-2;

D O I：

10.1088/0953-8984/25/44/445011

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

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 delta phase, a commensurate structure observed experimentally when D-2 is adsorbed on graphite, and not the registered root 3x root 3 structure characteristic of H-2 on the same substrate.

引用

页数：6

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