MnO$_3$Cl中的非共线亚铁电性与氢诱导的铁磁极性半金属性
Noncollinear ferrielectricity and hydrogen-induced ferromagnetic polar half-metallicity in MnO$_3$Cl
AI总结：
本研究通过第一性原理计算发现MnO$_3$Cl具有本征非共线亚铁电性与负压电效应，经氢插层电子掺杂可得到铁磁极性半金属，为相关物理研究和器件应用提供了新材料平台。
摘要：
近几十年来，铁电、反铁电等共线偶极序发展迅速，而固体中的非共线偶极序却鲜有研究。非共线偶极序可为实现亚铁电性提供途径。基于第一性原理计算，研究证实无机分子晶体MnO$_3$Cl具有本征非共线亚铁电性，其源于极性分子的立体取向；同时预测该材料存在大的负压电效应（$d_{33}\thicksim-27$ pC/N），且在紫外光窗口内具有强光吸收性和适中的光学各向异性。此外，通过氢插层进行电子掺杂，可获得铁磁极性半金属。本研究为探索非共线亚铁电的新奇物理及器件潜在应用提供了材料平台。
英文摘要：
Collinear dipole orders such as ferroelectricity and antiferroelectricity have developed rapidly in last decades. While, the noncollinear dipole orders are rarely touched in solids. Noncollinear dipole orders can provide a route to realize ferrielectricity. Based on first-principles calculations, an inorganic molecular crystal MnO$_3$Cl has been demonstrated to own intrinsic noncollinear ferrielectricity, which originates from the stereo orientations of polar molecules. The large negative piezoelectricity effect ($d_{33}\sim-27$ pC/N) is also predicted. A strong light absorption and moderate optical anisotropy are found for this molecular crystal in the ultraviolet light window. Additionally, by electron doping via hydrogen intercalation, a ferromagnetic polar half-metals can be obtained. Our study here provide a material platform to explore the intriguing physics of noncollinear ferrielectricity and potential applications in devices.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
