Messages

46

General Questions and Answers / Passivation

« on: November 28, 2017, 18:17 »

Hello sir ,
please tell me how we can passivate a material with other atoms like Nitrogen , Boron etc in VNL-ATK

47

General Questions and Answers / Gate voltage

« on: November 16, 2017, 19:24 »

Hello sir ,
I am designing a FET and i want to plot Id vs Vgs (current vs gate voltage) graph, please tell me how to vary gate voltage in VNL ATK ?

48

General Questions and Answers / Re: Anatase(TiO2)

« on: November 13, 2017, 17:16 »

here is the python file of Anatase

49

General Questions and Answers / Re: Anatase(TiO2)

« on: November 12, 2017, 16:28 »

It is present in the database of VNL-ATK.

50

General Questions and Answers / Ternary alloy compound semiconductor

« on: November 12, 2017, 14:11 »

Hello sir,
how to make ternary alloy compound semiconductor like GaAs0.5P0.5 in VNL-ATK ?

51

General Questions and Answers / Re: Extended Huckel Basis set

« on: November 8, 2017, 17:21 »

But if we work on device then we need the vacuum level value . How to set the vacuum level for device consists of MoS2 (what is the value of vacuum level for Mo and S) ?

52

General Questions and Answers / Extended Huckel Basis set

« on: November 8, 2017, 15:12 »

How to set the basis set in extended Huckel model and what should be the corresponding vacuum level value ?

53

General Questions and Answers / Dielectric constant

« on: November 8, 2017, 13:27 »

Hello sir,
I have calculated the dielectric constant of a material, but in many papers they are showing only the imaginary part of it. Some papers shows only the real part . Can you please tell me which part should be shown (which part is significant to show) ?

54

General Questions and Answers / Single zeta polarized and Double Zeta polarised

« on: November 7, 2017, 15:17 »

Hello sir,
I have calculated the chemical potential for silicon crystal (alpha silicon) using both the DZP ansd SZP basis set and get the value as -4.081992 eV and -4.265549 eV  respectively. Please tell me which one is more accurate .
Also mention how to select basis set  (like DZP, SZP,...) in different situation .

THANKS in advance

55

General Questions and Answers / Absorption coefficient (xx, yy, zz)

« on: October 26, 2017, 20:17 »

Hello sir,
I want to know why in almost all paper only zz part is shown ? why not xx and yy ?
What is the meaning of xx, yy and zz in optical properties.

56

General Questions and Answers / Spin orbit coupling parameter

« on: October 19, 2017, 14:46 »

Hello sir,
How we can find the spin orbit coupling parameter  of any material ?

57

General Questions and Answers / Value of current from iv self consisent file

« on: October 15, 2017, 13:48 »

Hello sir,
 how can i get the value of current from iv self consistent file ?
i am using vnl atk 2014 version

58

General Questions and Answers / Gilbert damping of Co2FeAl

« on: October 15, 2017, 09:13 »

Hello sir,
 I want to calculate gilbert damping costant of Co2FeAl  using the density of states of interface of Co2FeAl and MoS2  .
How i proceed ?   

reference paper link  http://aip.scitation.org/doi/pdf/10.1063/1.3067607

59

General Questions and Answers / Determining the type of semiconductor

« on: October 5, 2017, 18:00 »

Hello sir,
How can we determine whether the semiconductor  (let's say black phosphorus) is 'p' or 'n' type?
(In the tutorial for black phosphorus it is mentioned that it is p-type)

60

General Questions and Answers / Heterostructure and interlayer distance

« on: October 3, 2017, 20:57 »

Hello sir,
I want to make the heterostructure of MoS2 and MoSe2 and also i want to calculate the optimum interlayer distance .
I have also  followed the tutorial for bilayer graphene  but i am not getting the desired information (correct interlayer distance )