Stripe and Short Range Order in the Charge Density Wave of 1T-Cu_{x}TiSe_{2}.

We study the impact of Cu intercalation on the charge density wave (CDW) in 1T-Cu_{x}TiSe_{2} by scanning tunneling microscopy and spectroscopy. Cu atoms, identified through density functional theory modeling, are found to intercalate randomly on the octahedral site in the van der Waals gap and to dope delocalized electrons near the Fermi level. While the CDW modulation period does not depend on Cu content, we observe the formation of charge stripe domains at low Cu content (x<0.02) and a breaking up of the commensurate order into 2×2 domains at higher Cu content. The latter shrink with increasing Cu concentration and tend to be phase shifted. These findings invalidate a proposed excitonic pairing as the primary CDW formation mechanism in this material.

Doping nature of native defects in 1T-TiSe2.

The transition-metal dichalcogenide 1T-TiSe2 is a quasi-two-dimensional layered material with a charge density wave (CDW) transition temperature of T(CDW) ≈ 200 K. Self-doping effects for crystals grown at different temperatures introduce structural defects, modify the temperature-dependent resistivity, and strongly perturbate the CDW phase. Here, we study the structural and doping nature of such native defects combining scanning tunneling microscopy or spectroscopy and ab initio calculations. The dominant native single atom dopants we identify in our single crystals are intercalated Ti atoms, Se vacancies, and Se substitutions by residual iodine and oxygen.