Hydrogen impurity in SrTiO3: Structure, electronic properties and migration

The present paper reports a computational investigation of the geometry and electronic structure as well as the migration of a hydrogen impurity in the cubic SrTiO3 crystal. The study is done using an approach based on the Hartree-Fock theory and developed for periodic systems. It is found that the...

• প্রধান লেখক: Barreto, R. (author)
• অন্যান্য লেখক: Stashans, A. (author), Villamagua Conza, L. (author), Procel, L. (author)
• বিন্যাস: article
• প্রকাশিত: 2006
• বিষয়গুলি: srtio3; hartree; fock method; h dopant
• অনলাইন ব্যবহার করুন: http://dspace.utpl.edu.ec/handle/123456789/19275