Dear all Kwant workers!
My problem is about the calculation of energy dispersion of MoS2 in Ref PRB
92, 195402 (2015). I want to use the tight binding Hamiltonian of MoS2 (Eq
(2) in Reference)
to obtain energy dispersion in Figure 6(a). Because the honeycomb of
monolayer MoS2 is distinct with the graphene, onsite energy of Mo and S is
also different. In graphene,
the onsite energy of A and B atoms in unit cell is equivalent and thus the
hopping energy of nearest and two nearest atom in different direction is
same. However, this is not right
in MoS2 (A----Mo, B----S). So i choose the code to describe onsite energy in
MoS2 as follow
def onsite(site):
return E_M if (site.family == M) else E_X
Is this right?
Furthermore, i solve the energy band in y-direction by considering only one
lead (abs(y)
participants (2)
-
Abbout Adel
-
Gongwei_Hu