One-dimensional ferromagnetic semiconductor CrSbSe3 with high Curie temperature and large magnetic anisotropy

Abstract

In recent years, low-dimensional ferromagnetic semiconductors have attracted tremendous interest due to their great significance for both fundamental physics and device applications. In this work, a one dimensional (1D) ferromagnetic semiconductor $\mathrm{CrSb}{\mathrm{Se}}_{3}$ with high Curie temperature $({T}_{\mathrm{C}})$ and sizable magnetic anisotropy is proposed based on the first-principle calculations and theoretical model. Quasi-1D chain structure with a moderate cleavage energy of $0.49\phantom{\rule{0.16em}{0ex}}\mathrm{J}/{\mathrm{m}}^{2}$ suggests the possibility to exfoliate a 1D $\mathrm{CrSb}{\mathrm{Se}}_{3}$ ladder (a ladder structure formed by two rows of 1D monoatomic Cr chain) from the bulk. Monte Carlo simulation based on anisotropic Heisenberg model predicts ${T}_{\mathrm{C}}$ to be up to 170 K, which is much higher than that of the bulk. The high ${T}_{\mathrm{C}}$ of 1D $\mathrm{CrSb}{\mathrm{Se}}_{3}$ ladder originates from the combined effect of the strong intraladder ferromagnetic exchange interaction and large magnetic anisotropy, while the lower ${T}_{\mathrm{C}}$ of the bulk results from the weak interladder indirect exchange interaction. In addition, we find that the splitting of top valence bands depends on the direction of magnetization due to the reduced structural symmetry and spin-orbit coupling, indicating a strong magnetoband structure effect. Our theoretical prediction not only provides a material platform for understanding the fundamental physics of 1D magnetism, but also provides a strategy for the search for the 1D ferromagnetic semiconductor with high Curie temperature.