High-throughput Screening of Ferrimagnetic Semiconductors With Ultrahigh N\acuteeel Temperature

2024/11/07 by Wang, Haidi, Feng, Qingqing, Li, Shuo +6
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2411.04481

Abstract

Ferrimagnetic semiconductors, integrated with net magnetization, antiferromagnetic coupling and semi-conductivity, have constructed an ideal platform for spintronics. For practical applications, achieving high N\acuteeel temperatures (T_N) is very desirable, but remains a significant challenge. Here, via high-throughput density-functional-theory calculations, we identify 19 intrinsic ferrimagnetic semiconductor candidates from nearly 44,000 structures in the Materials Project database, including 10 ferrimagnetic bipolar magnetic semiconductors (BMS) and 9 ferrimagnetic half semiconductors (HSC). Notably, the BMS \ceNaFe5O8 possesses a high T_N of 768 K. By element substitutions, we obtain an HSC \ceNaFe5S8 with a T_N of 957 K and a BMS \ceLiFe5O8 with a T_N reaching 1059 K. Our results pave a promising avenue toward the development of ferrimagnetic spintronics at ambient temperature.

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