Dear community and Developers, I am reaching out to you to get some clarity regarding the dynamic stability of a 2D ferromagnet, 2H-VSe2. For my research, I have to calculate the thermal conductivity (using phono3py) of both its ferromagnetic and non-magnetic structures. My calculations (using PBE-PAW) suggest that the ferromagnetic phase (which is the favorable ground state) is dynamically stable, whereas the non-magnetic phase is unstable with negative frequencies in the phonon dispersions for one of the acoustic modes.
On this topic, there are three published literature available, two suggesting dynamic stability for both structures (doi:10.1039/d2nh00429a, 10.1039/d3cp00008g), whereas the third indicates that the non-magnetic state has one mode with negative frequency (doi: 10.1007/s10853-021-06311-4, Figure S6). Should the non-magnetic counterpart of a magnet be dynamically unstable at zero kelvin? Can anyone shed some light on this? -- *Best Regards* Zimmi Singh *Research_Scholar * *Department of Metallurgical and Materials Engineering Indian Institute of Technology, Kharagpur Kharagpur, India*
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