算法
材料科学
物理
机器学习
人工智能
计算机科学
作者
P. A. Maksimov,Alexey V. Ushakov,А. Ф. Губкин,Günther J. Redhammer,Stephen M. Winter,А. И. Колесников,A. M. dos Santos,Zheng Gai,Michael A. McGuire,A. Podlesnyak,S. V. Streltsov
标识
DOI:10.1073/pnas.2409154121
摘要
Recent advances in the study of cobaltites have unveiled their potential as a promising platform for realizing Kitaev physics in honeycomb systems and the Ising model in weakly coupled chain materials. In this manuscript, we explore the magnetic properties of pyroxene SrCoGe 2 O 6 using a combination of neutron scattering, ab initio methods, and linear spin-wave theory. Through careful examination of inelastic neutron scattering powder spectra, we propose a modified Kitaev model to accurately describe the twisted chains of edge-sharing octahedra surrounding Co 2 + ions. The extended Kitaev–Heisenberg model, including a significant anisotropic bond-dependent exchange term with K / | J | = 0.96 , is identified as the key descriptor of the magnetic interactions in SrCoGe 2 O 6 . Furthermore, our heat capacity measurements reveal an effect of an external magnetic field (approximately 13 T) which shifts the system from a fragile antiferromagnetic ordering with T N = 9 K to a field-induced state. We argue that pyroxenes, particularly those modified by substituting Ge with Si and its less extended p orbitals, emerge as a platform for the Kitaev model. This opens up possibilities for advancing our understanding of Kitaev physics.
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