Magnetic Properties of CaMnO3 Layers on the (100) Surface of BaTiO3


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Abstract

“Ab-initio” calculations of the electronic structure of the heterojunction (001) between cubic CaMnO3 and BaTiO3 perovskites are performed on the basis of density functional theory for different variants of magnetic ordering in calcium manganite. The paper considers some cases of ferromagnetic and antiferromagnetic A-type ordering. Comparison of the total energies of these structures shows that antiferromagnetic ordering in CaMnO3 is the most favorable. All the studied structures in a ferromagnetic state are half-metallic ferromagnets.

About the authors

S. M. Dunaevsky

Peter the Great Saint-Petersburg Polytechnic University; Konstantinov Saint-Petersburg Institute of Nuclear Physics

Author for correspondence.
Email: smd2000@mail.ru
Russian Federation, ul. Polytechnicheskaya 29, Saint-Petersburg, 195251; Orlova roshcha 1, Gatchina, Leningrad oblast, 188300

E. K. Mikhailenko

Peter the Great Saint-Petersburg Polytechnic University

Email: smd2000@mail.ru
Russian Federation, ul. Polytechnicheskaya 29, Saint-Petersburg, 195251

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