期刊
PHYSICAL REVIEW B
卷 81, 期 15, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.155435
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资金
- Junta de Andalucia group [PAI-205]
- DGI (Spain) [FIS2008-04403]
- Generalitat de Catalunya [2009SGR-1003]
The phase diagram of the first layer of H-2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of He-4, the ground state of molecular hydrogen is a root 3 x root 3 commensurate structure, followed, upon a pressure increase, by an incommensurate triangular solid. A striped phase of intermediate density was also considered and found lying on top of the equilibrium curve separating both commensurate and incommensurate solids.
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