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Phase diagram of H-2 adsorbed on graphene

Author
Gordillo, M. C.; Boronat, J.
Type of activity
Journal article
Journal
Physical review B: condensed matter and materials physics
Date of publication
2010-04-15
Volume
81
Number
15
First page
1
Last page
5
DOI
https://doi.org/10.1103/PhysRevB.81.155435 Open in new window
Repository
http://hdl.handle.net/2117/8288 Open in new window
URL
http://arxiv.org/PS_cache/arxiv/pdf/1005/1005.2115v1.pdf Open in new window
Abstract
The phase diagram of the first layer of H2 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 4He, the ground state of molecular hydrogen is a √3×√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 a...
Citation
Gordillo, M.; Boronat, J. Phase diagram of H-2 adsorbed on graphene. "Physical review B, condensed matter", 15 Abril 2010, vol. 81, núm. 15, p. 1-5.
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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