M Atikur Rahman

3 Questions 2 Answers 0 Followers

Questions related from M Atikur Rahman

Is there any tutorial or manual of how to make an heterostructure with Graphene monolayer in Material Studio 2017 ?

I am trying to make an Heterostructure with Graphene monolayer for DFT calculation . But I am facing problem with making a structure and searching for if is there a tutorial or manual for learning...

28 November 2021 3,641 2 View

Can I Calculate Binding Energy of any heterostructure via CASTEP? If not, which program should I use?

I want to calculate binding energy of heterostructure crystal via DFT. But I am familiar with CASTEP, not yet have knowledge about any other software. Can I find binding energy of crystal by...

16 November 2021 2,660 3 View

Can the value of C44,C11,C12 in elastic properties calculation of a perovskite compound be negative and higher than 100?

I am simulating elastic properties of a perovskite compound by CASTEP code in a software where I found the value of C44 is negetive at a certain pressure. I am getting confused is my calculation...

06 June 2021 1,941 2 View