Stabilizing a hexagonal Ru2C via Lifshitz transition under pressure
2013 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 103, no 25, 251901- p.Article in journal (Refereed) Published
A unique type of heavy transition metal carbide Ru2C was synthesized experimentally at high pressure-high temperature and consequently quenched to ambient condition. The dynamical stability study reveals the instability at ambient condition. We have found that it can be stabilized from 30 to 110 GPa. The stronger 4d-2p hybridization and the formation of a cage like Fermi surface do impact the stability. The mixed bands primarily 2p characteristic weighted crossing the Fermi level form a Fermi surface piece at Gamma point under pressure. The clear change of topology of Fermi surface verifies the Lifshitz transition from ambient condition to high pressure.
Place, publisher, year, edition, pages
2013. Vol. 103, no 25, 251901- p.
Initio Molecular-Dynamics, Metal, Rhenium, Osmium
Other Physics Topics
IdentifiersURN: urn:nbn:se:kth:diva-140930DOI: 10.1063/1.4850195ISI: 000329973800027ScopusID: 2-s2.0-84891450520OAI: oai:DiVA.org:kth-140930DiVA: diva2:693423
FunderCarl Tryggers foundation Swedish Research Council
QC 201402042014-02-042014-02-042014-02-14Bibliographically approved