Spintronics: perspectives for the half-metallic oxides

2004 ◽  
Vol 201 (7) ◽  
pp. 1392-1397 ◽  
Author(s):  
A. M. Haghiri-Gosnet ◽  
T. Arnal ◽  
R. Soulimane ◽  
M. Koubaa ◽  
J. P. Renard
Keyword(s):  
Half Metallic ◽  
Metallic Oxides

scholarly journals High-Throughput Computational Search for Half-Metallic Oxides

Molecules ◽  
2020 ◽  
Vol 25 (9) ◽  
pp. 2010
Author(s):  
Laalitha S. I. Liyanage ◽  
Jagoda Sławińska ◽  
Priya Gopal ◽  
Stefano Curtarolo ◽  
Marco Fornari ◽  
...  
Keyword(s):  
Density Of States ◽  
High Throughput ◽  
Chemical Space ◽  
A Priori ◽  
Structural Formula ◽  
Inorganic Crystal Structure Database ◽  
Half Metallic ◽  
Half Metals ◽  
Metallic Oxides ◽  
Computational Search

Half metals are a peculiar class of ferromagnets that have a metallic density of states at the Fermi level in one spin channel and simultaneous semiconducting or insulating properties in the opposite one. Even though they are very desirable for spintronics applications, identification of robust half-metallic materials is by no means an easy task. Because their unusual electronic structures emerge from subtleties in the hybridization of the orbitals, there is no simple rule which permits to select a priori suitable candidate materials. Here, we have conducted a high-throughput computational search for half-metallic compounds. The analysis of calculated electronic properties of thousands of materials from the inorganic crystal structure database allowed us to identify potential half metals. Remarkably, we have found over two-hundred strong half-metallic oxides; several of them have never been reported before. Considering the fact that oxides represent an important class of prospective spintronics materials, we have discussed them in further detail. In particular, they have been classified in different families based on the number of elements, structural formula, and distribution of density of states in the spin channels. We are convinced that such a framework can help to design rules for the exploration of a vaster chemical space and enable the discovery of novel half-metallic oxides with properties on demand.

Electric and Magnetic Properties of Epitaxial Fe2−xTixO3+σ Films

2000 ◽  
Vol 623 ◽  
Author(s):  
T. Fujii ◽  
K. Ayama ◽  
M. Nakanishi ◽  
M. Sohma ◽  
K. Kawaguchi ◽  
...  
Keyword(s):  
Spontaneous Magnetization ◽  
Mixed Valence ◽  
Room Temperature Resistivity ◽  
Half Metallic ◽  
Metallic Oxides ◽  
Corundum Structure ◽  
Valence States ◽  
Ilmenite Structure ◽  
Ti Content ◽  
Temperature Resistivity

AbstractSolid solution films of the σ-Fe2O3-FeTiO3 series are one of the candidates for noble half-metallic oxides. They were epitaxially formed on σ-Al2O3(001) single crystalline substrates by O2 -reactive evaporation method. The Fe2−x TixO3+σ films prepared at higher Ts=973 K and with larger Ti content x≤0.4 had the ilmenite structure with R3 symmetry. Other films at lower Ts or with smaller x possessed the corundum structure with R3c. Only the films with R3 symmetry had large ferrimagnetic moments, though the observed spontaneous magnetization was less than half of the ideal value expected from the fully ordered structure. Room temperature resistivity of intermediate composites dropped to 10−lΔcm due to the formation of the mixed valence states between Fe2+ and Fe3+. However the Fe2+ content of the films was rather small as compared with stoichiometric Fe2−xTixO3. The Ti-rich films had large oxygen nonstoichio netry of about σ=0.3.

Theoretical Investigation of Half-Metallic Oxides XFeO3 (X = Sr, Ba) via Modified Becke–Johnson Potential Scheme

2017 ◽  
Vol 47 (3) ◽  
pp. 2032-2041 ◽  
Author(s):  
Saba Maqsood ◽  
Muhammad Rashid ◽  
Fasih Ud Din ◽  
M. Bilal Saddique ◽  
A. Laref
Keyword(s):  
Theoretical Investigation ◽  
Half Metallic ◽  
Metallic Oxides
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