Origin of the charge density wave in 1T-TiSe2

Research output: Contribution to journalArticlepeer-review

28 Scopus citations


All-electron ab initio calculations are used to study the microscopic origin of the charge density wave (CDW) in 1T-TiSe2. A purely electronic picture is ruled out as a possible scenario, indicating that the CDW transition in the present system is merely a structural phase transition. The CDW instability is the result of a symmetry lowering by electron correlations occurring with electron localization. Suppression of the CDW in pressurized and in Cu-intercalated 1T-TiSe2 is explained by a delocalization of the electrons, which weakens the correlations and counteracts the symmetry lowering.
Original languageEnglish (US)
JournalPhysical Review B
Issue number24
StatePublished - Jun 27 2012

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01


Dive into the research topics of 'Origin of the charge density wave in 1T-TiSe2'. Together they form a unique fingerprint.

Cite this