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Topics - ams_nanolab

Pages: 1 ... 9 10 [11]
151
General Questions and Answers / NEGF query
« on: October 5, 2012, 08:55 »
Dear Sir,

I'm looking to undertake NEGF simulations of some direct and indirect band gap nano sheets.

As I understand an effective mass hamiltonian at K point is used to carry out NEGF studies in most such systems such as monolayer MoS2 (direct band gap), but if we go to multilayer MoS2 then the VB maxima and CB minima no longer are at K point.

Kindly advise what difference in the approach is to be applied when we are treating indirect band gap materials under the NEGF formalism.

152
Future Releases / Plugin for SIESTA
« on: September 28, 2012, 08:41 »
Kindly add a plugin in ATK 12.2 to convert the .py scripts suitable for running in other environments say an equivalent .fdf file for SIESTA :)

153
Future Releases / some advanced options in plot
« on: September 18, 2012, 15:42 »
do add some advanced options in the plot output interface, more freedom regarding the colour, line intensity, axes type(linear, log etc.) fonts etc.

154
General Questions and Answers / 2-D channel material mosfet
« on: September 18, 2012, 15:38 »
Hi,

I'm looking to study some 2-D channel material (other than graphene) MOSFETs in ATK, where could I find tutorials etc. for simulating such a device with ATK ???

155
General Questions and Answers / Monolayers of Si
« on: July 23, 2012, 11:47 »
With ATK how should I study a monolayer of Silicon <111> , can anybody help me with the drawing ?

156
How can I see the tight binding Hamiltonian elements for a particular system (say Bi2Te3 quintuple or MoS2 monolayer) from ATK??  ???

157
General Questions and Answers / Slater-Koster MoS2
« on: July 4, 2012, 10:31 »
Is it possible to find out the Slater-Koster matrix elements for monolayer MoS2 from ATK? I have read in some references that the matrix elements for such a system can be extracted from VASP or SIESTA, can we do something like that from ATK? ???  ???

Pages: 1 ... 9 10 [11]