Hi Abid, Your summary looks good. (i) yes the total thickness (ii) the thickness needs to be converted to centimeter to cancel the "cm" in (hbar/e)*S/cm
Best, Junfeng Qiao Doctoral Assistant EPFL THEOS Switzerland On Mon, May 3, 2021 at 4:36 PM Abid Rehman <rehmanu...@gmail.com> wrote: > Dear Qiao, > First of all thank you very much for your response and > explanation provided. I understood your points. I summarized what you have > said in the attached picture. Please have a look at whether it is ok or > not. > I have further two supplementary confusions: (i) by "t*hickness along z"* > you mean thickness of the slab (i.e, Sample thickness+Vacume thickness) ? > (ii) Normally th > [image: picture.jpg] > e thickness of the slab is in the Angstrom unit in first-principle > calculations,So should I take the thickness directly in the Angstrom unit > or need to convert to cm.? > Thank You > > On Mon, 3 May 2021 at 17:19, Junfeng Qiao <qiao0junf...@gmail.com> wrote: > >> Hi Abid, >> >> (hbar/e)*S/cm is the unit of SHC for 3D structures, e^2/h is the unit of >> AHC >> for 2D structures. If you are calculating SHC of a 2D structure by using >> a >> slab with vacuum, then you could first multiply the result by the >> thickness >> along z axis (assuming z axis is the direction normal to the slab plane, >> i.e. >> the total thickness of the slab and the vacuum), so now the unit is (hbar/ >> e)*S. Secondly, multiply the result by (-2e/hbar) [i.e. "convert" a spin >> angular momentum (hbar/2) to a charge (-e)], now the unit is S. Since >> e^2/hbar >> ~= 2.434e-4 S, it's easy to do the reverse and you get the unit in e^2/h. >> >> Best, >> Junfeng QIAO >> Doctoral Assistant >> EPFL THEOS >> Switzerland >> >> On Sunday, May 2, 2021 9:54:33 AM CEST Abid Rehman wrote: >> > Hi all, >> > As we know, The wannier90 gives Spin Hall conductivity in units of >> > *(hbar/e)*S/cm. >> > *I want to express the spin Hall conductivity in *e2**/h *unit. So how >> can >> > I convert the data from *(hbar/e)*S/cm *to* e2/h unit?* >> > Thanks >> >> >>
_______________________________________________ Wannier mailing list Wannier@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/wannier
