Linear Trimer Formation with Antiferromagnetic Ordering in 1 T-CrSe2 Originating from Peierls-like Instabilities and Interlayer Se-Se Interactions
Artikel i vetenskaplig tidskrift, 2019

Anomalous successive structural transitions in layered 1T-CrSe 2 with an unusual Cr 4+ valency were investigated by synchrotron X-ray diffraction. 1T-CrSe 2 exhibits dramatic structural changes in in-plane Cr-Cr and interlayer Se-Se distances, which originate from two interactions: (i) in-plane Cr-Cr interactions derived from Peierls-like trimerization instabilities on the orbitally assisted one-dimensional chains and (ii) interlayer Se-Se interactions through p-p hybridization. As a result, 1T-CrSe 2 has the unexpected ground state of an antiferromagnetic metal with multiple Cr linear trimers with three-center-two-electron σ bonds. Interestingly, partial substitution of Se for S atoms in 1T-CrSe 2 changes the ground state from an antiferromagnetic metal to an insulator without long-range magnetic ordering, which is due to the weakening of interlayer interactions between anions. The unique low-temperature structures and electronic states of this system are determined by the competition and cooperation of in-plane Cr-Cr and interlayer Se-Se interactions.


Shintaro Kobayashi

Nagoya University

Naoyuki Katayama

Nagoya University

Taishun Manjo

Nagoya University

Hiroaki Ueda

Kyoto University

Chishiro Michioka

Kyoto University

Jun Sugiyama

Toyota Central Research Development Laboratory Inc

Yasmine Sassa

Uppsala universitet

Chalmers, Fysik, Materialfysik

Ola Kenji Forslund

Kungliga Tekniska Högskolan (KTH)

Martin Månsson

Kungliga Tekniska Högskolan (KTH)

Kazuyoshi Yoshimura

Kyoto University

Hiroshi Sawa

Nagoya University

Inorganic Chemistry

0020-1669 (ISSN) 1520-510X (eISSN)


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