Fang Yue-Wen, Yang Ruihan, Chen Hanghui
Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501, Japan. NYU-ECNU Institute of Physics, New York University, Shanghai, People's Republic of China.
J Phys Condens Matter. 2019 Nov 6;31(44):445803. doi: 10.1088/1361-648X/ab31e0. Epub 2019 Jul 13.
Frustrated magnets are one class of fascinating materials that host many intriguing phases such as spin ice, spin liquid and complex long-range magnetic orderings at low temperatures. In this work we use first-principles calculations to find that in a wide range of magnetically frustrated oxides, at zero temperature a number of non-collinear magnetic orderings are more stable than the type-I collinear ordering that is observed at finite temperatures. The emergence of non-collinear orderings in those complex oxides is due to higher-order exchange interactions that originate from second-row and third-row transition metal elements. This implies a collinear-to-noncollinear spin transition at sufficiently low temperatures in those frustrated complex oxides. Furthermore, we find that in a particular oxide BaYOsO, experimentally feasible uniaxial strain can tune the material between two different non-collinear magnetic orderings. Our work predicts new non-collinear magnetic orderings in frustrated complex oxides at very low temperatures and provides a mechanical route to tuning complex non-collinear magnetic orderings in those materials.
受挫磁体是一类迷人的材料，在低温下会呈现出许多有趣的相，如自旋冰、自旋液体和复杂的长程磁有序。在这项工作中，我们通过第一性原理计算发现，在广泛的磁受挫氧化物中，在零温度下，一些非共线磁有序比在有限温度下观察到的I型共线有序更稳定。这些复杂氧化物中出现非共线有序是由于源自第二排和第三排过渡金属元素的高阶交换相互作用。这意味着在那些受挫的复杂氧化物中，在足够低的温度下会发生共线到非共线的自旋转变。此外，我们发现，在一种特定的氧化物BaYOsO中，实验上可行的单轴应变可以在两种不同的非共线磁有序之间调节该材料。我们的工作预测了在非常低的温度下受挫复杂氧化物中存在新的非共线磁有序，并提供了一种在这些材料中调节复杂非共线磁有序的机械途径。
