钒氧硫化物中的反铁磁性是否注定失败？
Is altermagnetism in vanadium oxychalcogenides a lost cause?
AI总结：
研究发现，钒基氧硫化物中反铁磁性有序主导，大多数材料不具有反铁磁性，仅CsV₂Te₂O例外。
摘要：
基于逆利布晶格（ILL）结构模式的钒基氧硫化物化合物最近被提出作为反铁磁体（AM）的候选材料。然而，早期研究假设了层间铁磁耦合，这是维持体相AM状态的关键要求。在这里，我们系统地调查了完整的AV₂Q₂O家族（A = K, Rb, Cs；Q = S, Se, Te）的磁序和层间耦合情况。尽管层内交换相互作用在单个ILL层中倾向于AM有序，但大多数情况下相对较弱的层间耦合倾向于Kramers退简并的反铁磁有序，具有双倍磁单位晶格。这意味着大多数化学计量比的体材料，包括之前提出的候选材料KV₂Se₂O，都不是反铁磁体，只有CsV₂Te₂O是例外。通过空穴掺杂模拟碱金属空位，我们表明实际偏离化学计量比不会改变这些化合物的磁基态。
英文摘要：
Vanadium-based oxychalcogenide compounds with the inverse Lieb-lattice (ILL) structural pattern have recently been proposed as candidate altermagnets (AM). However, early studies postulated ferromagnetic interlayer coupling, a critical requirement for preserving the bulk AM state. Here we present a systematic survey of the complete AV2Q2O family (A = K, Rb, Cs; Q = S, Se, Te) in terms of their magnetic ordering and interlayer coupling. While intralayer exchange interaction favors AM ordering in a single ILL layer across the entire family, the relatively weak interlayer coupling in most cases favors Kramers-degenerate antiferromagnetic order with a doubled magnetic unit cell. This means that most stoichiometric bulk materials, including the previously proposed candidate KV2Se2O, are not altermagnetic, with CsV2Te2O being the only exception. Using hole doping to simulate alkali vacancies, we show that realistic deviations from stoichiometry do not change the magnetic ground state in these compounds.
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。
