Fe 0.36(4) Pd 0.64(4) Se 2 : Magnetic Spin-Glass Polymorph of FeSe 2 and PdSe 2 Stable at Ambient Pressure

作者：Jianjun Tian, V. N. Ivanovski, David J. Szalda, Hechang Lei, Aifeng Wang, Yu Liu, Weifeng Zhang, V. Koteski, C. Petrović · 发表于：Inorganic Chemistry · 年份：2019 · DOI：10.1021/acs.inorgchem.8b03089 · 被引用次数：7 · 研究领域：Iron-based superconductors research、Magnetic and transport properties of perovskites and related materials、Rare-earth and actinide compounds

We report the synthesis and characterization of Fe 0.36(4) Pd 0.64(4) Se 2 with a pyrite-type structure. Fe 0.36(4) Pd 0.64(4) Se 2 was synthesized using ambient pressure flux crystal growth methods even though the space group Pa 3 is high-pressure polymorph for both FeSe 2 and PdSe 2 . Combined experimental and theoretical analysis reveal magnetic spin glass state below 23 K in 1000 Oe that stems from random Fe/Pd occupancies on the same atomic site. The frozen-in magnetic randomness contributes significantly to electronic transport. Electronic structure calculations confirm dominant d-electron character of hybridized bands and large density of states near the Fermi level. Flux-grown single crystal alloys in Pd–Fe–Se atomic system therefore open new pathway for exploring different polymorphs in crystal structures and their novel properties.