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First-principles study of defective and nonstoichiometric Sr
2
FeMoO
6
Rohan Mishra
, Oscar D. Restrepo
, Patrick M. Woodward
, Wolfgang Windl
Department of Mechanical Engineering & Materials Science
McKelvey School of Engineering
Research output
:
Contribution to journal
›
Article
›
peer-review
38
Scopus citations
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Dive into the research topics of 'First-principles study of defective and nonstoichiometric Sr
2
FeMoO
6
'. Together they form a unique fingerprint.
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Keyphrases
Non-stoichiometric
100%
First-principles Study
100%
Sr2FeMoO6
100%
Spin Polarization
75%
Saturation Magnetization
75%
Antisite
75%
Oxygen Vacancy
50%
Half-metallic
50%
Stoichiometry
25%
Experimental Values
25%
Structural Properties
25%
Transition Metal Ions
25%
Electronic Structure
25%
Short-range Order
25%
Magnetic Properties
25%
Chemical Potential
25%
Fermi Level
25%
Electronic Structure Calculations
25%
Fe-Mo
25%
Spin-polarized
25%
Formation Energy
25%
Lattice Parameter
25%
Half-metallicity
25%
Fe-rich
25%
Antisite Disorder
25%
GGA + U
25%
Chemistry
First Principle
100%
Spin Polarization
100%
Crystal Point Defect
66%
Electronic State
66%
Oxygen Vacancy
66%
Reaction Stoichiometry
33%
Energetics
33%
Magnetic Property
33%
Fermi Level
33%
Lattice Parameter
33%
Chemical Potential
33%
Metal Ion
33%
Transition Metal
33%
formation
33%
Lattice Constant
33%
Physics
Spin Polarization
100%
First Principle
100%
Saturation Magnetization
100%
Point Defect
66%
Oxygen Vacancy
66%
Energetics
33%
Transition Metal
33%
Metal Ion
33%
Stoichiometry
33%
Metallicity
33%
Magnetic Property
33%
Lattice Parameter
33%
Material Science
Spin Polarization
100%
Point Defect
66%
Oxygen Vacancy
66%
Transition Metal
33%
Magnetic Property
33%
Electronic Structure Calculation
33%
Lattice Constant
33%