Dresden 2026 – wissenschaftliches Programm
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DS: Fachverband Dünne Schichten
DS 20: Poster
DS 20.24: Poster
Donnerstag, 12. März 2026, 18:30–20:30, P2
Bonding and properties in NiTe-NiTe2: Transition from normal metal to Dirac semimetal — •Christian Stenz1, Kethusan Karunanathan1, Paul Zhuromskyy1, Kijoon Cheong1, Tim Bartsch1, and Matthias Wuttig1,2 — 1I. Institute of Physics (IA), RWTH Aachen University, Germany — 2Peter Grünberg Institute - JARA-Institute Energy Efficient Information Technology (PGI-10), Jülich, Germany
We investigate the evolution of bonding and electronic properties across the NiTe-NiTe2 system, focusing on the transition from conventional metallic behavior in NiTe to topological Dirac semimetallicity in NiTe2. NiTe exhibits isotropic bonding between Ni d- and Te p-electrons, characteristic of a normal metal. In contrast, NiTe2 forms a layered structure with a pseudo van-der-Waals gap and weak Te p-p interactions, hosting Dirac nodes near the Fermi level that give rise to non-trivial topological surface states and linear magnetoresistance. By tuning the Ni content in sputtered thin films, we control the interlayer coupling mediated by Ni d-electrons, enabling systematic exploration of the transition between these bonding regimes. Using density functional theory and tight-binding calculations, we analyze how additional d-electrons influence the band structure, Berry curvature, and Dirac cone formation in NiTe2. Correlations between these electronic changes and material properties - such as optical and electrical conductivity, linear positive magnetoresistance, emergence of soft anharmonic bonds and bond rupture behavior - are examined.
Keywords: Dirac Semimetal; Topological; Transition Metal Chalcogenides (TMCs); Linear Magnetoresistance; Electronic Structure