High-throughput screening of ferrimagnetic semiconductors with ultrahigh Néel temperature

Ferrimagnetic semiconductors, integrated with net magnetization, antiferromagnetic coupling, and semiconducting nature, comprise an ideal platform for spintronics. For practical applications, achieving high N\'eel temperatures (${T}_{\mathrm{N}}$) 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 (BMSs) and 9 ferrimagnetic half semiconductors (HSCs). Notably, the BMS ${\mathrm{NaFe}}_{5}{\mathrm{O}}_{8}$ possesses a high ${T}_{\mathrm{N}}$ of 768 K. By element substitutions, we obtain an HSC ${\mathrm{NaFe}}_{5}{\mathrm{S}}_{8}$ with a ${T}_{\mathrm{N}}$ of 957 K and a BMS ${\mathrm{LiFe}}_{5}{\mathrm{O}}_{8}$ with a ${T}_{\mathrm{N}}$ reaching 1059 K. Our results pave a promising avenue toward the development of ferrimagnetic spintronics at ambient temperature.