High-throughput screening assisted discovery of a stable layered anti-ferromagnetic semiconductor: CdFeP2Se6
| Autor: | Manish Kothakonda, Yanglin Zhu, Yingdong Guan, Jingyang He, Jamin Kidd, Ruiqi Zhang, Jinliang Ning, Venkatraman Gopalan, Weiwei Xie, Zhiqiang Mao, Jianwei Sun |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Popis: | Recent advances in two-dimensional (2D) magnetism have heightened interest in layered magnetic materials due to their potential for spintronics. In particular, layered semiconducting antiferromagnets exhibit intriguing low-dimensional semiconducting behavior with both charge and spin as carrier controls. However, synthesis of these compounds is challenging and remains rare. Here, we conducted firstprinciples based high-throughput search to screen potentially stable mixed metal phosphorous trichalcogenides (MM'P2X6, where M and M' are transition metals and X is a chalcogenide) that have a wide range of tunable bandgaps and interesting magnetic properties. Among the potential candidates, we successfully synthesized a stable semiconducting layered magnetic material, CdFeP2Se6, that exhibits a short-range antiferromagnetic order at TN = 21 K with an indirect band gap of 2.23 eV. Our work suggests that highthroughput screening assisted synthesis be an effective method for layered magnetic materials discovery. 14 pages, 3 figures |
| Databáze: | OpenAIRE |
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