Messages

76

General Questions and Answers / Gilbert damping

« on: September 5, 2017, 09:39 »

Hi sir , i am working on spin dynamics , i want to calculate the gilbert damping in half metal . Is it possible in VNL-ATK. 

Lambda (λ)  in equation 2 in paper DOI: 10.1063/1.3157267

77

General Questions and Answers / Re: interlayer distance

« on: September 3, 2017, 12:03 »

I have to find interlayer distance between Mos2 and graphene?

78

General Questions and Answers / 2-Dimensional hetrostructure

« on: September 3, 2017, 11:46 »

How to make 2-Dimensional hetero structures in vnl atk ?

79

General Questions and Answers / Re: Optical spectrum

« on: August 29, 2017, 20:33 »

ok.......thanks for help

80

General Questions and Answers / Re: Optical spectrum

« on: August 29, 2017, 20:17 »

But how we will get the script ? script is not given only relationship  is given

81

General Questions and Answers / Optical spectrum

« on: August 29, 2017, 16:11 »

Currently i am using VNL-ATK-2014 version,  but in this version only three optical properties i am getting (absorption, dielectric constant, refractive index) .  But i want rest of the other optical properties like reflectivity , optical conductivity , polarizability, susceptiblity   and extinction.
 So please provide me the script for the above mentioned  optical properties .

82

General Questions and Answers / Bi layer of MoS2

« on: August 28, 2017, 08:42 »

How to get bilayer MoS2  in vnl atk ?

83

General Questions and Answers / Monte Carlo

« on: August 27, 2017, 22:50 »

Can we do Monte Carlo calculation for calculating band structure in VNL-ATK ?

84

General Questions and Answers / Re: Band structure of Bulk MoS2 (10 Layers)

« on: August 27, 2017, 21:47 »

I want to calculate the band structure of bulk MoS2 . Please send me the cif file of bulk MoS2 .

85

General Questions and Answers / Re: Band structure of Bulk MoS2 (10 Layers)

« on: August 27, 2017, 14:07 »

I am not understanding the difference between bulk MoS2 and 10 layers MoS2 . Please tell me the difference first .

86

General Questions and Answers / Band structure of Bulk MoS2 (10 Layers)

« on: August 26, 2017, 16:27 »

I have calculated the band structure of Bulk MoS2  (10 layers) , the  obtained band gap is 0.81 eV  . But I want the band gap of 1.1eV   (using DFT - LDA+PW)  . Can anyone suggest me other method to get 1.1 eV  band gap for bulk MoS2 (10 layers)  ?

87

General Questions and Answers / PDOS

« on: August 26, 2017, 13:43 »

How to find PDOS in vnl atk ?

88

General Questions and Answers / interlayer distance

« on: August 26, 2017, 09:22 »

how to find inter layer distance between two molecule in vnl atk?

89

General Questions and Answers / stress

« on: August 21, 2017, 21:48 »

how we can apply stress on 2d materials in vnl atk ?

90

General Questions and Answers / Re: Temperature effect on magnetic tunnel junction

« on: August 21, 2017, 20:24 »

Effect of variation in temperature on value of Tunnel magnetoresistance ?