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Silencing electron correlations in the open Ni3d shell system NiTe2

Tassaphon Tirasutt1, Simone G. Altendorf1, Sheng-Huai Chen1, Alexander C. Komarek1, Naoki Ito2, Mizuki Furo2, Chun-Fu Chang1, Yu-Chieh Ku3, Po-Yu Cho4 et al.

Chun Sum Brian Pang5, Liu Hao Tjeng1,*, and Atsushi Hariki2,†

  • *Contact author: hao.tjeng@cpfs.mpg.de
  • †Contact author: hariki@omu.ac.jp
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Phys. Rev. Research 8, 033218 – Published 21 August, 2026

DOI: https://doi.org/10.1103/d8vx-2dvq

Abstract

The van der Waals transition metal dichalcogenide NiTe2 is investigated through soft x-ray photoelectron and absorption spectroscopy combined with density functional plus dynamical mean-field theory. We derive an electronic configuration of d9 for the Ni ions with some admixture of d8 and d10, yielding an average 3d occupation of about 8.9. Despite the d shell being open with non-negligible hole concentrations, calculations reveal the absence of local moments, thereby explaining the Pauli paramagnetic behavior as observed in magnetic susceptibility measurements. This behavior is unusual, particularly given that many Ni-based compounds exhibit strong electron correlations. We ascribe the silencing of correlation effects in this material to the fact that without the Ni–Te hybridization, the Ni would have the nonmagnetic full d10 configuration, and that the Ni bands that get partially unfilled due to hybridization are extremely broad, making the holes “bandlike” or “highly delocalized”. The large Hubbard U interaction does not become operative in this material.

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Phys. Rev. Research 8, 033218– Published 21 August, 2026
  • Received 22 May 2026
  • Accepted 3 August 2026
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