Volume 99, Number 2, July 2012
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||31 July 2012|
Strain-induced phase transition in β-MnO2
1 College of Science, Nanjing University of Aeronautics and Astronautics - Nanjing, 210016, China
2 School of Mathematics and Physics, Nanjing University of Information Science and Technology Nanjing, 210044, China
3 School of Electronic Science and Engineering, Nanjing University of Posts and Telecommunications Nanjing, 210046, China
4 Department of Physics, University of Connecticut - Storrs, CT 06269, USA
Received: 21 June 2012
Accepted: 28 June 2012
The phase transition of β-MnO2 under negative pressure and external strain was investigated via the density function theory. During the expansion, the half-metallic phase appeared. Using the Heisenberg model, the variations in the exchange integrals between Mn4+ pairs were determined. A crossover between the dominate exchange integrals occurred, which resulted in the formation of the ferromagnetic phase. On the other hand, the double exchange mechanism and weakening of the crystal field were the two reasons for the formation of the majority of conduction bands.
PACS: 75.25.-j – Spin arrangements in magnetically ordered materials (including neutron and spin-polarized electron studies, synchrotron-source x-ray scattering, etc.) / 71.30.+h – Metal-insulator transitions and other electronic transitions / 85.75.-d – Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields
© EPLA, 2012
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