16
General Questions and Answers / HOMO-LUMO at different bias
« on: January 5, 2018, 14:10 »
How we can find Homo-Lumo gap at different bias in vnl-atk?
Show Posts
This section allows you to view all posts made by this member. Note that you can only see posts made in areas you currently have access to.
17
General Questions and Answers / TMR definition in optimistic and pessimistic scale
« on: January 4, 2018, 21:22 »
Why we measure TMR by using two different scale that is optimistic scale and pessimistic scale ? And what is being neglected by optimism ?
18
General Questions and Answers / About Freestanding graphene
« on: January 4, 2018, 19:36 »
By looking at Fig. 1 in paper https://doi.org/10.1007/s10948-015-3223-2, I get the impression that the graphene is a free-standing, totally unsupported monolayer surrounded by empty space. Is this energetically stable? Is this experimentally reproducible? Typically, two-dimensional materials such as graphene are deposited on a substrate that matches their atomic parameters. Epitaxial stress plays an important role in the behaviour of the material. Please comment.
19
General Questions and Answers / Relativistic effects like spin orbit coupling
« on: January 3, 2018, 13:10 »
Can anyone tell me what is the limitation of relativistic effects like spin orbit coupling ? (Generally why we are not considering spin orbit coupling in simulation ?)
20
General Questions and Answers / Lattice parameter of VTe2
« on: December 16, 2017, 17:44 »
Hello sir ,
can you please provide me the lattice parameter of VTe2 ?
can you please provide me the lattice parameter of VTe2 ?
21
General Questions and Answers / Hydrogen terminated Silicene nanoribbon
« on: December 12, 2017, 08:49 »
How to make Hydrogen terminated Silicene nanoribbon in vnl atk ?
22
General Questions and Answers / Cif file of VS2
« on: December 11, 2017, 19:48 »
Hello sir,
please provide me the cif file of VS2 in 2-H phase .
please provide me the cif file of VS2 in 2-H phase .
23
General Questions and Answers / ATK-2017
« on: December 7, 2017, 18:46 »
What is broadening in vnl-atk 2017 calculator setting ?
24
General Questions and Answers / spin caloritronics
« on: December 2, 2017, 05:22 »
Hello sir,
can we perform simulation based on spin caloritronics in vnl-atk ?
can we perform simulation based on spin caloritronics in vnl-atk ?
25
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
please tell me how we can passivate a material with other atoms like Nitrogen , Boron etc in VNL-ATK
26
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 ?
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 ?
27
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 ?
how to make ternary alloy compound semiconductor like GaAs0.5P0.5 in VNL-ATK ?
28
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 ?
29
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) ?
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) ?
30
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
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