Solving a problem with a single parameter: a smooth bcc to fcc phase transition for metallic lithium-Reference-Cited by-同舟云学术

Solving a problem with a single parameter: a smooth bcc to fcc phase transition for metallic lithium

Published:2022 Issue:96 Volume:58 Page:13369-13372
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Jerabek Paul¹^ORCID,Burrows Antony²,Schwerdtfeger Peter²^ORCID

Affiliation:

1. Institute of Hydrogen Technology, Helmholtz-Zentrum Hereon, Max-Planck-Str. 1, 21502, Geesthacht, Germany

2. The New Zealand Institute for Advanced Study, Center for Theoretical Chemistry and Physics, Massey University, 0632, Auckland, New Zealand

Abstract

DFT calculations show how bcc lithium transforms from being meta-stable to quasi-degenerate with fcc along the martensitic cuboidal path when phonon contributions are added. This resolves a long-standing controversy about these two Li structures.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CC/D2CC04928G

Reference46 articles.

1. Lithium and lithium ion batteries for applications in microelectronic devices: A review

2. Crystal Structure of Lithium at 4.2 K

3. Martensitic phase transformation of single-crystal lithium from bcc to a9R-related structure

4. Quantum-solid behavior and the electronic structure of the light alkali metals

5. Polytype structures of lithium at low temperatures

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