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Author Topic: properties of perovskite structure  (Read 3868 times)

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Offline sweta

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properties of perovskite structure
« 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
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Offline Anders Blom

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Re: properties of perovskite structure
« Reply #1 on: October 6, 2017, 02:56 »
Yes
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Offline sweta

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Re: properties of perovskite structure
« Reply #2 on: October 6, 2017, 03:32 »
Please send me link to calculate optical properties of perovskite structure
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Offline davgumo

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Re: properties of perovskite structure
« Reply #3 on: October 6, 2017, 04:15 »
This is for Silicon but the idea is the same
https://docs.quantumwise.com/tutorials/optical/optical.html
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Offline Petr Khomyakov

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Re: properties of perovskite structure
« Reply #4 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.   
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