<div dir="ltr"><div>Dear community and Developers,</div><div><br></div><div>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. <br></div><div><br></div><div>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).<br></div><div><br></div><div>Should the non-magnetic counterpart of a magnet be dynamically unstable at zero kelvin? Can anyone shed some light on this? </div><div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><b><font><font>Best Regards</font></font></b></div><div><span style="color:rgb(68,68,68)"><span style="background-color:rgb(255,255,255)"><font><font>Zimmi Singh</font></font></span></span></div><div><span style="color:rgb(68,68,68)"><span style="background-color:rgb(255,255,255)"><i><font><font>Research_Scholar <br></font></font></i></span></span></div><div><span style="color:rgb(68,68,68)"><i>Department of Metallurgical and Materials Engineering<br>
Indian Institute of Technology, Kharagpur<br>
Kharagpur, India</i></span></div><div><font><font><br></font></font></div></div></div></div></div>