Sensitivity of electronic structure to crystal distortions in infinite-layered LaNiO2

S. Rathnayaka, S. Yano, J. B. Morée, K. Kawashima, J. Akimitsu, C. M. Brown, J. Neuefeind, D. Louca

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Abstract

Recent observations of unconventional superconductivity (SC) in thin films of LaNiO2 (critical temperature Tc≃ 10 K) and in bulk single crystals of La3Ni2O7 under pressure Tc≃80K have cemented a long sought-After class of SC nickelates. In La1-xSrxNiO2, SC appears only in films for reasons not understood. We perform a combination of experiments to probe the crystal structure and magnetic order in bulk LaNiO2 together with ab initio calculations of the electronic structure. We find that the infinite layers are naturally buckled out-of-plane. The electronic bands are largely unaffected by the buckling, but uniaxial compression along the c axis may lead to a Lifshitz transition.

Original languageEnglish
Article number014518
JournalPhysical Review B
Volume111
Issue number1
DOIs
StatePublished - Jan 1 2025

Funding

This paper has been supported by the U.S. Department of Energy (DOE), Grant No. DE-FG02-01ER45927. We acknowledge the support of the NIST, U.S. Department of Commerce, in providing the neutron research facilities used in this paper. Work at ORNL was supported by the DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division and Scientific User Facilities Division. Support for this paper was also provided by the High-Tech Research Center Project for Private Universities from the Ministry of Education, Culture, Sports, Science and Technology, Grant-in-Aid for Specially Promoted Research (JSPS KAKENHI Grant No. 25000003), and Grant-in-Aid for Scientific Research (S) and (B) (JSPS KAKENHI Grants No. 25220803 and No. 25287087). Moreover, this paper was supported by the Strategic International Collaborative Research Program (LEMSUPER) from Japan Science and Technology Agency. Two of authors (K.K. and J.A.) were supported by IMRA Material Co., LTD. J.B.M. acknowledges funding from the Special Postdoctoral Researcher Program at RIKEN.

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