title: Doping nature of native defects in 1T-TiSe2.
abstract: 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.
authors.affiliation: Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, CH-1700 Fribourg, Switzerland.
authors.forename: B
authors.initials: B
authors.lastname: Hildebrand
authors.affiliation: Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, CH-1700 Fribourg, Switzerland.
authors.forename: C
authors.initials: C
authors.lastname: Didiot
authors.affiliation: Département de Physique de la Matière Condensée, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland.
authors.forename: A M
authors.initials: AM
authors.lastname: Novello
authors.affiliation: Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, CH-1700 Fribourg, Switzerland.
authors.forename: G
authors.initials: G
authors.lastname: Monney
authors.affiliation: Département de Physique de la Matière Condensée, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland.
authors.forename: A
authors.initials: A
authors.lastname: Scarfato
authors.affiliation: Département de Physique de la Matière Condensée, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland.
authors.forename: A
authors.initials: A
authors.lastname: Ubaldini
authors.affiliation: Institut de Génie Atomique, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.
authors.forename: H
authors.initials: H
authors.lastname: Berger
authors.affiliation: London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.
authors.forename: D R
authors.initials: DR
authors.lastname: Bowler
authors.affiliation: Département de Physique de la Matière Condensée, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland.
authors.forename: C
authors.initials: C
authors.lastname: Renner
authors.affiliation: Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, CH-1700 Fribourg, Switzerland.
authors.forename: P
authors.initials: P
authors.lastname: Aebi