New possible candidate structure for phase IV of solid hydrogen

Li, Guojun; Gu, Yu; Li, Zhiguo; Chen, Qifeng; Chen, Xiangrong

doi:10.1039/d0ra03295f

Cited by 3 publications

(2 citation statements)

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“…• Ama2-24 : base-centered orthorombic lattice, four layers stacked in an ABCD fashion and the G-layers very similar to the C2/c layers [44];…”

Section: Details Of the Atomic Structuresmentioning

confidence: 99%

“…A signature of this structure would be a strong softening of the G-layer vibron with increasing pressure. A number of theoretical works [40][41][42][43][44] led to a list of possible candidates for its structural characterization. Here, we consider four different geometries, previously introduced: Pc-48 [40], having a strongly distorted honeycomb lattice as G-layer; Pbcn-48 [26], where the honeycomb lattice is less distorted and slightly dimerized; Ama2-24 [44], where the G-layer has a typical C2/c arrangement; Ibam-8 [26] with a perfectly hexagonal Glayer.…”

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confidence: 99%

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Hydrogen phase-IV characterization by full account of quantum anharmonicity

Morresi,

Vuilleumier,

Casula

2022

Preprint

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We devise a framework to compute accurate phonons in molecular crystals even in case of strong quantum anharmonicity. Our approach is based on the calculation of the static limit of the phononic Matsubara Green's function from path integral molecular dynamics simulations. Our method enjoys a remarkably low variance, which allows one to compute accurate phonon frequencies after a few picoseconds of nuclear dynamics, and it is further stabilized by the use of appropriate constrained displacement operators. We applied it to solid hydrogen at high pressure. For phase III, our predicted infrared (IR) and Raman active vibrons agree very well with experiments. We then characterize the crystalline symmetry of phase IV by direct comparison with vibrational data and we determine the character of its Raman and IR vibron peaks.

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“…• Ama2-24 : base-centered orthorombic lattice, four layers stacked in an ABCD fashion and the G-layers very similar to the C2/c layers [44];…”

Section: Details Of the Atomic Structuresmentioning

confidence: 99%

mentioning

confidence: 99%

Hydrogen phase-IV characterization by full account of quantum anharmonicity

Morresi,

Vuilleumier,

Casula

2022

Preprint

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Metallization of Hydrogen Under High Pressure: Challenges and Experimental Progress

Wang,

Wu,

Gao

et al. 2024

Adv Funct Materials

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Hydrogen, the first element in the periodic table, is predicted to become metallic at extremely high‐pressure conditions. Solid metallic hydrogen is believed to possess extraordinary physical properties, such as room‐temperature superconductivity and superfluidity, earning it the title of the “holy grail” in high‐pressure research. The pursuit of solid metallic hydrogen has spanned nine decades. Despite numerous fascinating discoveries related to dense hydrogen, metallic hydrogen has yet to be experimentally realized. This article aims to provide an overview of the major progress made in this field and offers an outlook on future developments.

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