QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on February 11, 2017, 10:26

Title: Eff mass fitting plots
Post by: ams_nanolab on February 11, 2017, 10:26

Hi,

To get the effective mass fitting plots in ATK 2016.3 I am trying the Local Bandstructure as in
http://docs.quantumwise.com/tutorials/inas_2d_mgga/inas_2d_mgga.html

But how to fit the top of the band in a symmetric way (i mean the two arms of the parabola/ fitting curve)?

What I see is just half of the parabola. This is true for points intermediate between G and Z also.

Title: Re: Eff mass fitting plots
Post by: Daniele Stradi on February 13, 2017, 11:18

Hi,

I don't think it is correct to fit the effective mass using a band structure calculated along a path along the Brillouin zone, e.g. X -> G -> L, because the effective mass is defined along a specific direction of the Brillouin zone, e.g. [100].

Hence you can only fit the effective mass along a certain direction of the Brillouin zone (e.g. G->Z).

Regards,
Daniele.

Title: Re: Eff mass fitting plots
Post by: ams_nanolab on February 13, 2017, 11:52

Okay, thats good. But how about Z-G-Z It's the same direction but would include both sides of the parabola? Does it affect accuracy or is it the same?

Title: Re: Eff mass fitting plots
Post by: Anders Blom on February 13, 2017, 12:41

Same.