QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sitangshu on January 10, 2012, 06:26

Title: Half Heuslers
Post by: sitangshu on January 10, 2012, 06:26

Hi,

    I am trying to build a Half Heusler PbAuY nanowire laong [100] direction. But , I am not sure if this would require a hydrogen passivation. I would be grateful if you send me the scripts at your earliest for the Half Heuslers listed in the database. 

Thanks in advance

Sitangshu

Title: Re: Half Heuslers
Post by: zh on January 10, 2012, 12:21

Since no dandling bond for such metallic system, no necessary to add hydrogen passivation.