Magnetic interactions in BiFeO3 : A first-principles study
نویسندگان
چکیده
منابع مشابه
First-principles study of spontaneous polarization in multiferroic BiFeO3
J. B. Neaton,1,* C. Ederer,2 U. V. Waghmare,3 N. A. Spaldin,2 and K. M. Rabe1 1Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA 2Materials Research Laboratory and Materials Department, University of California, Santa Barbara, California 93106, USA 3Jawaharlal Nehru Center for Advanced Scientific Research, Jakkur, Bangalore 560 064, India sReceived ...
متن کاملMultidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study
Dawei Wang,1,* Ekhard K. H. Salje,2 Shao-Bo Mi,1,3 Chun-Lin Jia,1,4 and L. Bellaiche5 1Electronic Materials Research Laboratory–Key Laboratory of the Ministry of Education and International Center for Dielectric Research, Xi’an Jiaotong University, Xi’an 710049, China 2Department of Earth Sciences, University of Cambridge, Cambridge CB2 3EQ, United Kingdom 3Institute of Metal Research, Chinese ...
متن کاملFirst-principles lattice dynamics and heat capacity of BiFeO3
We study the lattice dynamics of bismuth ferrite (BiFeO3) rhombohedral ferroelectric (R3c) using first-principles density functional theory calculations and the direct force constant method. We determine the phonon dispersions, phonon density of states, and heat capacity. Special attention is paid to the heat capacity at low temperature, at which the present phonon calculations show significant...
متن کاملMagnetic interactions in BiFe0.5Mn0.5O3 films and BiFeO3/BiMnO3 superlattices
The clear understanding of exchange interactions between magnetic ions in substituted BiFeO3 is the prerequisite for the comprehensive studies on magnetic properties. BiFe0.5Mn0.5O3 films and BiFeO3/BiMnO3 superlattices have been fabricated by pulsed laser deposition on (001) SrTiO3 substrates. Using piezoresponse force microscopy (PFM), the ferroelectricity at room temperature has been inferre...
متن کاملInteractions between hydrogen and tungsten carbide: a first principles study
Tungsten carbide has been proposed to be a potential inexpensive alternative to platinum for catalyzing hydrogenation reactions. Using density functional theory (DFT) calculations, we performed a systematic study on the geometries and electronic structures of small (WC)n (n 1⁄4 1–10) clusters. A cubic-like growth of WC clusters was found to be the preferred pathway. The interactions between the...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 2019
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.99.104420