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Magnetic properties of pressurized CsV$_{3}$Sb$_{5}$ calculated by using a hybrid functional
- Publication Year :
- 2021
-
Abstract
- Based on the hybrid functional, we find that at 0 GPa, the pristine CsV$_{3}$Sb$_{5}$ has local magnetic moment of 0.85 $\mu_B$ /unit cell, which is suppressed at pressure of 2.5 GPa resulting in a spin-crossover. Since the ground sate of CsV$_{3}$Sb$_{5}$ with charge density wave (CDW) distortion is non-magnetic state, the local magnetic moment of pristine CsV$_{3}$Sb$_{5}$ will be suppressed by temperature-induced CDW transition at 94 K. The schematic evolution of magnetic moments as functions of pressure and temperature are presented. At low temperature, CsV$_{3}$Sb$_{5}$ is a rare example of materials hosting pressureinduced local magnetic moment, and we suggeste that the effects of local magnetic moments should be considered for understanding its properties.
- Subjects :
- Condensed Matter - Strongly Correlated Electrons
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.2112.08559
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1039/D2CP01763F