期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：2019
卷号：116
期号：20
页码：9770-9774
DOI：10.1073/pnas.1818897116
出版社：The National Academy of Sciences of the United States of America
摘要：Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab initio methods and compared with recent experimental results. We confirm that at T > 3,000 K, both processes are continuous, while at T < 1,500 K, the first-order phase transition is accompanied by a discontinuity of the dc conductivity and the thermal conductivity, while both the reflectivity and absorption coefficient vary rapidly but continuously. Our results support the recent analysis of National Ignition Facility (NIF) experiments [Celliers PM, et al. (2018) Science 361:677–682], which assigned the inception of metallization to pressures where the reflectivity is ∼0.3. Our results also support the conclusion that the temperature plateau seen in laser-heated diamond-anvil cell (DAC) experiments at temperatures higher than 1,500 K corresponds to the onset of optical absorption, not to the phase transition.
关键词：hydrogen ; high pressure ; metal insulator ; optical properties ; quantum Monte Carlo
