Soh Jian-Rui, Merkel Maximilian E, Pourovskii Leonid V, Živković Ivica, Malanyuk Oleg, Pásztorová Jana, Francoual Sonia, Hirai Daigorou, Urru Andrea, Tolj Davor, Fiore Mosca Dario, Yazyev Oleg V, Spaldin Nicola A, Ederer Claude, Rønnow Henrik M
Quantum Innovation Centre (Q.InC), Agency for Science Technology and Research (A*STAR), 2 Fusionopolis Way, Singapore, 138634, Singapore.
Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015, Lausanne, Switzerland.
Nat Commun. 2024 Nov 29;15(1):10383. doi: 10.1038/s41467-024-53893-z.
Clarifying the underlying mechanisms that govern ordering transitions in condensed matter systems is crucial for comprehending emergent properties and phenomena. While transitions are often classified as electronically driven or lattice-driven, we present a departure from this conventional picture in the case of the double perovskite BaMgReO. Leveraging resonant and non-resonant elastic x-ray scattering techniques, we unveil the simultaneous ordering of structural distortions and charge quadrupoles at a critical temperature of T ~ 33 K. Using a variety of complementary first-principles-based computational techniques, we demonstrate that, while electronic interactions drive the ordering at T, it is ultimately the lattice distortions that dictate the specific ground state that emerges. Our findings highlight the crucial interplay between electronic and lattice degrees of freedom, providing a unified framework to understand and predict unconventional emergent phenomena in quantum materials.
阐明凝聚态物质系统中有序转变的潜在机制对于理解涌现性质和现象至关重要。虽然转变通常被分类为电子驱动或晶格驱动,但在双钙钛矿BaMgReO的情况下,我们提出了与这种传统图景不同的观点。利用共振和非共振弹性X射线散射技术,我们揭示了在临界温度T~33 K时结构畸变和电荷四极子的同时有序化。使用各种基于第一性原理的互补计算技术,我们证明,虽然电子相互作用在T温度下驱动有序化,但最终是晶格畸变决定了出现的特定基态。我们的发现突出了电子和晶格自由度之间的关键相互作用,为理解和预测量子材料中的非常规涌现现象提供了一个统一的框架。