QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: marmotte on October 1, 2012, 12:10

Title: construction of thin film
Post by: marmotte on October 1, 2012, 12:10

Dear ATK members,


Could you please provide us how to construct thin film structure using the Builder ?

Thank you

Title: Re: construction of thin film
Post by: Anders Blom on October 1, 2012, 13:20

Can you be a bit more concrete... Which material, in what type of geometry... One example is shown here: http://quantumwise.com/publications/tutorials/builder/170-building-a-si-si3n4-interface

Title: Re: construction of thin film
Post by: sergio on October 1, 2012, 23:00

Hi,

For instance how can we construct ZnO (hexagonal) thin film on Si(111)?

Thanks,

Title: Re: construction of thin film
Post by: Anders Blom on October 1, 2012, 23:07

In very much the same way as the example I linked to above, which in fact is a very thin film of Si3N4 (hexagonal) on Si (111). You basically just replace Si3N4 with ZnO and hope the strain is not too large, and of course consider carefully how the atoms line up.