QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: achal18895 on August 23, 2018, 08:23

Title: ternary alloy
Post by: achal18895 on August 23, 2018, 08:23

I have tried to make a compound Hg(1-x)Cd(x)Te. I have take first HgTe then by selecting Hg atoms replace with Cd atoms by substitutional alloy option in builders ( Normal distribution). Then repeat this in all three directions.
Send to the script generator add new calculator and from analysis block add band structure. But problem is that it shows 0ev band gap. I have take reference from tutorial of InGaAs.

Title: Re: ternary alloy
Post by: Ulrik G. Vej-Hansen on August 23, 2018, 09:16

There can be many reasons for a 0 eV band gap. Please provide the scripts and log files, and a reference for the band gap you think it should have.

Title: Re: ternary alloy
Post by: achal18895 on September 1, 2018, 08:13

I have found my mistake.
Thank you...