Reply to “Comment on ‘First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2’ ”
- Journal Article
In their Comment, Refson criticize the use of the "frozen-core" approximation for the Ti 3s and 3p semicore states in our Brief Report, and they dispute whether the methods employed by us are capable of supporting our conclusions. In this Reply we summarize the main features of our work and we show that indeed none of the conclusions of our Brief Report are affected by the frozen-core treatment of the Ti semicore states. The criticism of Refson seems to be based mostly on a misinterpretation what the main goal of our study is and what the main conclusions of our work are. While the detailed comparison between different pseudopotentials containing different numbers of valence electrons presented in the comment by Refson is very interesting and instructive in its own right, it has no consequences regarding the validity of our work. ©2013 American Physical Society. Show more
Journal / seriesPhysical Review B
Pages / Article No.
PublisherAmerican Physical Society
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