Tuning the electronic and magnetic properties of NiBr$_2$ via pressure
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866916222475436032 |
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| author | Bag, Soumen Kapeghian, Jesse Erten, Onur Botana, Antia S. |
| author_facet | Bag, Soumen Kapeghian, Jesse Erten, Onur Botana, Antia S. |
| contents | Transition metal dihalides (MX$_2$, M= transition metal, X= halide) have attracted much attention recently due to their intriguing low-dimensional magnetic properties. Particular focus has been placed in this family in the context of multiferroicity -- a common occurrence in MX$_2$ compounds that adopt non-collinear magnetic structures. One example of helimagnetic multiferroic material in the dihalide family is represented by NiBr$_2$. Here, we study the evolution of the electronic structure and magnetic properties of this material under pressure using first-principles calculations combined with Monte Carlo simulations. Our results indicate there is significant magnetic frustration in NiBr$_2$ due to the competing interactions arising from its underlying triangular lattice. This magnetic frustration increases with pressure and is at the origin of the helimagnetic order. Further, pressure causes a sizable increase in the interlayer interactions. Our Monte Carlo simulations show that a large (3-fold) increase in the helimagnetic transition temperature can be achieved at pressures of around 15 GPa. This indicates that hydrostatic pressure can indeed be used as a tuning knob to increase the magnetic transition temperature of NiBr$_2$. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2404_16278 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Tuning the electronic and magnetic properties of NiBr$_2$ via pressure Bag, Soumen Kapeghian, Jesse Erten, Onur Botana, Antia S. Materials Science Strongly Correlated Electrons Transition metal dihalides (MX$_2$, M= transition metal, X= halide) have attracted much attention recently due to their intriguing low-dimensional magnetic properties. Particular focus has been placed in this family in the context of multiferroicity -- a common occurrence in MX$_2$ compounds that adopt non-collinear magnetic structures. One example of helimagnetic multiferroic material in the dihalide family is represented by NiBr$_2$. Here, we study the evolution of the electronic structure and magnetic properties of this material under pressure using first-principles calculations combined with Monte Carlo simulations. Our results indicate there is significant magnetic frustration in NiBr$_2$ due to the competing interactions arising from its underlying triangular lattice. This magnetic frustration increases with pressure and is at the origin of the helimagnetic order. Further, pressure causes a sizable increase in the interlayer interactions. Our Monte Carlo simulations show that a large (3-fold) increase in the helimagnetic transition temperature can be achieved at pressures of around 15 GPa. This indicates that hydrostatic pressure can indeed be used as a tuning knob to increase the magnetic transition temperature of NiBr$_2$. |
| title | Tuning the electronic and magnetic properties of NiBr$_2$ via pressure |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2404.16278 |