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Radio Frequency Magnetron Sputtering of GdBa2Cu3O7−δ/ La0.67Sr0.33MnO3 Quasi-bilayer Films on SrTiO3 (STO) Single-crystal Substrates
Published on: April 12, 2019
Half metallic properties of LaSrVMoO6
Weiyu Song1, Jing Wang, Jian Meng
1State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China.
Journal of Computational Chemistry
|March 23, 2010
Summary
This study reveals LaSrVMoO(6) is ferrimagnetic and half-metallic with a 2.0 microB magnetic moment, challenging previous zero magnetic moment speculation. Strong electron correlation in Mo 4d electrons is key, though experimental discrepancies require further investigation.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Materials Science
Background:
- The material LaSrVMoO(6) was previously speculated to be a half-metal with zero magnetic moment.
- Understanding the electronic and magnetic properties of novel oxides is crucial for advanced applications.
Purpose of the Study:
- To investigate the electronic and magnetic properties of LaSrVMoO(6) using first-principles calculations.
- To reconcile theoretical predictions with experimental observations regarding its magnetic moment.
Main Methods:
- First-principles calculations based on experimental crystal structure.
- Analysis of electron correlation effects, specifically for Mo 4d electrons.
- Investigation of spin-orbit coupling effects.
Main Results:
- The study indicates LaSrVMoO(6) is ferrimagnetic and half-metallic with a magnetic moment of 2.0 microB.
- A strong electron correlation effect for Mo 4d electrons ( > 2.72 eV) is identified as the origin of the magnetic moment.
- The calculated magnetic moment contradicts the experimentally observed nearly zero magnetic moment.
Conclusions:
- The theoretical model suggests a significant magnetic moment in LaSrVMoO(6), driven by electron correlation.
- Discrepancies with experimental data may be attributed to factors like antisite defects.
- Further research is needed to fully understand the magnetic behavior and reconcile theory with experiment.
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