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Compressibility of a periodic lattice of atomic hydrogen

Hoang, Nam Nhat (2019) Compressibility of a periodic lattice of atomic hydrogen. IR JET, 6 (6). pp. 3023-3024. ISSN 2395-0072

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We report on the compressibility of a pseudo-cubic P1 lattice of atomic hydrogen from 0 up to 3000 GPa by modeling the lattice under hydraulic stress using the Density Functional Theory (DFT). The lattice compression does not fit well to the known Murnaghan's equation and shows sharp increase near 2500 GPa. On the other hand, the bulk modulus shows anomalous behavior in the vicinity of 280 GPa. We also obtain the values of ground state energy and enthalpy for pressure up to 2500 GPa, above this pressure the convergence fails as the H-H distance approaches the bonding length in H2.

Item Type: Article
Subjects: Scopus-indexed journals
Divisions: Faculty of Engineering Physics and Nanotechnology (FEPN)
Depositing User: Hoàng Nam Nhật
Date Deposited: 12 Dec 2019 09:40
Last Modified: 12 Dec 2019 09:41

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