Hi,
I got confused and I think it is better for me to ask it here, I want to find the effective mass in different directions in real direct space (x, y,z), but the formal effective mass is defined by k-space direction(for instance Gamma to M). I do not know how to define the direction in real space mapped on direction in k-space inside a crystal. for instance, in a monolayer MoS2 ( just for learning) as I attached, which direction in the k-point represent the green one and which one represent the red one as illustrated in the attached figure?
thanks
http://www.nextnano.de/nextnano3/input_parser/database/docu/effective_masses.htm
Thanks, unfortunately I don't quit get what they did from theoretical perspective, any references that I could use that clearly relate the kpoint direction to the crystal real space direction? Thanks
The effective mass in certain reciprocal point k-space which hkl system is a hkl plain in real space for example if 100 as hkl is in the x-direction then the other two planes will lies in y and z directions the other planes are between them.
But to calculate values for effective mass is not as simple as this since you work with the reciprocal lattices represented by k and this needs a computer codes
The most suitable program for this is
materials studio
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