QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sweta on October 5, 2017, 20:23

Title: properties of perovskite structure
Post by: sweta on October 5, 2017, 20:23

Hello everryone,

I want to know what properties of perovskite structure can be calculated using ATK-VNL? Can we calculate structural, electronic, optical properties like refractive index, dielectric constant for perovskite structure using ATK-VNL?

Thanks!
Regards,
Sweta

Title: Re: properties of perovskite structure
Post by: Anders Blom on October 6, 2017, 02:56

Yes

Title: Re: properties of perovskite structure
Post by: sweta on October 6, 2017, 03:32

Please send me link to calculate optical properties of perovskite structure

Title: Re: properties of perovskite structure
Post by: davgumo on October 6, 2017, 04:15

This is for Silicon but the idea is the same
https://docs.quantumwise.com/tutorials/optical/optical.html

Title: Re: properties of perovskite structure
Post by: Petr Khomyakov on October 6, 2017, 09:37

To add to the last post, in the VNL-ATK-2017.1 there are many tools to extract and view optical quantities from the optical spectrum.