Optical properties of dense lithium in electride phases by first-principles calculations

Scientific Reports
Zheng YuY Chen

Abstract

The metal-semiconductor-metal transition in dense lithium is considered as an archetype of interplay between interstitial electron localization and delocalization induced by compression, which leads to exotic electride phases. In this work, the dynamic dielectric response and optical properties of the high-pressure electride phases of cI16, oC40 and oC24 in lithium spanning a wide pressure range from 40 to 200 GPa by first-principles calculations are reported. Both interband and intraband contribution to the dielectric function are deliberately treated with the linear response theory. One intraband and two interband plasmons in cI16 at 70 GPa induced by a structural distortion at 2.1, 4.1, and 7.7 eV are discovered, which make the reflectivity of this weak metallic phase abnormally lower than the insulating phase oC40 at the corresponding frequencies. More strikingly, oC24 as a reentrant metallic phase with higher conductivity becomes more transparent than oC40 in infrared and visible light range due to its unique electronic structure around Fermi surface. An intriguing reflectivity anisotropy in both oC40 and oC24 is predicted, with the former being strong enough for experimental detection within the spectrum up to 10 eV. The ...Continue Reading

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Aug 15, 1995·Physical Review. B, Condensed Matter·K Karlsson, F Aryasetiawan
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Nov 23, 2000·Nature·M HanflandD L Novikov
Apr 6, 2001·Physical Review Letters·N E Christensen, D L Novikov
Oct 11, 2002·Nature·Katsuya ShimizuKiichi Amaya
Oct 19, 2002·Science·Viktor V StruzhkinRussell J Hemley
Mar 13, 2009·Nature·Yanming MaVitali Prakapenka
Apr 28, 2009·Physical Review Letters·Yansun YaoDennis D Klug
Apr 28, 2009·Physical Review Letters·Chris J Pickard, R J Needs
Sep 28, 2010·Physical Review Letters·Matteo GattiAngel Rubio
Mar 17, 2011·Physical Review Letters·M MarquésR J Nelmes
Mar 10, 2012·Physical Review Letters·F A GorelliE Gregoryanz
Dec 12, 2012·Physical Review Letters·Anne Marie J SchaefferShanti Deemyad
Apr 8, 2014·Accounts of Chemical Research·Mao-Sheng Miao, Roald Hoffmann
May 2, 2015·Physical Review Letters·Ivan I Naumov, Russell J Hemley
Aug 19, 2015·The Journal of Chemical Physics·Ivan I NaumovN W Ashcroft
Nov 12, 2016·Scientific Reports·Hua Y Geng, Q Wu
Dec 16, 2016·The Journal of Physical Chemistry Letters·Hua Y GengY Sun

❮ Previous
Next ❯

Methods Mentioned

BETA
X-ray

Software Mentioned

DAC
VASP

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

© 2022 Meta ULC. All rights reserved