Literature DB >> 23904476

Electronic excitations and metallization of dense solid hydrogen.

R E Cohen1, Ivan I Naumov, Russell J Hemley.   

Abstract

Theoretical calculations and an assessment of recent experimental results for dense solid hydrogen lead to a unique scenario for the metallization of hydrogen under pressure. The existence of layered structures based on graphene sheets gives rise to an electronic structure related to unique features found in graphene that are well studied in the carbon phase. The honeycombed layered structure for hydrogen at high density, first predicted in molecular calculations, produces a complex optical response. The metallization of hydrogen is very different from that originally proposed via a phase transition to a close-packed monoatomic structure, and different from simple metallization recently used to interpret recent experimental data. These different mechanisms for metallization have very different experimental signatures. We show that the shift of the main visible absorption edge does not constrain the point of band gap closure, in contrast with recent claims. This conclusion is confirmed by measured optical spectra, including spectra obtained to low photon energies in the infrared region for phases III and IV of hydrogen.

Entities:  

Keywords:  density functional theory; diamond anvil cells; optical spectroscopy; semimetal absorption

Mesh:

Substances:

Year:  2013        PMID: 23904476      PMCID: PMC3752221          DOI: 10.1073/pnas.1312256110

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  16 in total

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Journal:  ACS Nano       Date:  2011-03-15       Impact factor: 15.881

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Journal:  Phys Rev Lett       Date:  2011-04-19       Impact factor: 9.161

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  3 in total

1.  Raman measurements of phase transitions in dense solid hydrogen and deuterium to 325 GPa.

Authors:  Chang-sheng Zha; R E Cohen; Ho-kwang Mao; Russell J Hemley
Journal:  Proc Natl Acad Sci U S A       Date:  2014-03-17       Impact factor: 11.205

2.  Liquid-liquid phase transition in hydrogen by coupled electron-ion Monte Carlo simulations.

Authors:  Carlo Pierleoni; Miguel A Morales; Giovanni Rillo; Markus Holzmann; David M Ceperley
Journal:  Proc Natl Acad Sci U S A       Date:  2016-04-20       Impact factor: 11.205

3.  X-ray scattering measurements of dissociation-induced metallization of dynamically compressed deuterium.

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Journal:  Nat Commun       Date:  2016-04-15       Impact factor: 14.919

  3 in total

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