Electronic excitations and metallization of dense solid hydrogen

被引:18
作者
Cohen, R. E. [1 ]
Naumov, Ivan I. [1 ]
Hemley, Russell J. [1 ]
机构
[1] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA
基金
美国国家科学基金会;
关键词
density functional theory; diamond anvil cells; optical spectroscopy; semimetal absorption; TRANSITIONS; PHASE; SPECTROSCOPY;
D O I
10.1073/pnas.1312256110
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
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.
引用
收藏
页码:13757 / 13762
页数:6
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