CobaltMaghrebV1, PascalFrancis, Checkpoint, bibRecord, 000056

Ab-initio Calculation of Half-Metal Ferrimagnetic Sn0.9Mn0.05Co0.05O2

Identifieur interne : 000056 ( PascalFrancis/Checkpoint ); précédent : 000055; suivant : 000057

Ab-initio Calculation of Half-Metal Ferrimagnetic Sn0.9Mn0.05Co0.05O2

Auteurs : O. Mounkachi [Maroc] ; E. Salmani [Maroc] ; H. El Moussaoui [Maroc] ; M. Hamedoun [Maroc] ; H. Ez-Zahraouy [Maroc] ; A. Benyoussef [Maroc]

Source :

Journal of superconductivity and novel magnetism [ 1557-1939 ] ; 2012.

RBID : Pascal:12-0349377

Descripteurs français

Pascal (Inist)
- Etude théorique, Calcul ab initio, Semimétal, Densité spin, Méthode fonctionnelle densité, Calcul KKR, Calcul CPA, Composé minéral, Matériau dopé, Codopage, Matériau ferrimagnétique, Oxyde d'étain, Addition manganèse, Impureté magnétique, Addition cobalt, Approximation densité locale, Hybridation, Structure bande, Théorie bandes, SnO2, 7115M, 7550P.
Wicri :
- topic : Composé minéral.

English descriptors

KwdEn :
- Ab initio calculations, Band structure, Band theory, CPA calculations, Cobalt additions, Codoping, Density functional method, Doped materials, Ferrimagnetic materials, Hybridization, Inorganic compounds, KKR calculations, Local density approximation, Magnetic impurities, Manganese additions, Semimetals, Spin density, Theoretical study, Tin oxide.

Abstract

Based on first-principles spin-density functional calculations, using the Korringa-Kohn-Rostoker (KKR) method combined with the coherent potential approximation (CPA), we investigated the half-metallic ferrimagnetic properties of SnO₂ codoped with Mn and Co impurities (Sn_0.90(Mn_0.05, Co_0.05)O₂) within the self-interaction-corrected (SIC) local density approximation. Mechanism of hybridization and interaction between magnetic ions in Sn_0.90(Mn_0.05, Co_0.05)O₂ is investigated. The band structure model has been used to explain the strong ferrimagnetic interaction observed and the mechanism that stabilizes this state is proposed.

Affiliations:

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Le document en format XML

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Mn<sub>0.05</sub>
Co<sub>0.05</sub>
O<sub>2</sub>
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Mn<sub>0.05</sub>
Co<sub>0.05</sub>
O<sub>2</sub>
</title>
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<series><title level="j" type="main">Journal of superconductivity and novel magnetism</title>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term>
<term>Band structure</term>
<term>Band theory</term>
<term>CPA calculations</term>
<term>Cobalt additions</term>
<term>Codoping</term>
<term>Density functional method</term>
<term>Doped materials</term>
<term>Ferrimagnetic materials</term>
<term>Hybridization</term>
<term>Inorganic compounds</term>
<term>KKR calculations</term>
<term>Local density approximation</term>
<term>Magnetic impurities</term>
<term>Manganese additions</term>
<term>Semimetals</term>
<term>Spin density</term>
<term>Theoretical study</term>
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<keywords scheme="Pascal" xml:lang="fr"><term>Etude théorique</term>
<term>Calcul ab initio</term>
<term>Semimétal</term>
<term>Densité spin</term>
<term>Méthode fonctionnelle densité</term>
<term>Calcul KKR</term>
<term>Calcul CPA</term>
<term>Composé minéral</term>
<term>Matériau dopé</term>
<term>Codopage</term>
<term>Matériau ferrimagnétique</term>
<term>Oxyde d'étain</term>
<term>Addition manganèse</term>
<term>Impureté magnétique</term>
<term>Addition cobalt</term>
<term>Approximation densité locale</term>
<term>Hybridation</term>
<term>Structure bande</term>
<term>Théorie bandes</term>
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<front><div type="abstract" xml:lang="en">Based on first-principles spin-density functional calculations, using the Korringa-Kohn-Rostoker (KKR) method combined with the coherent potential approximation (CPA), we investigated the half-metallic ferrimagnetic properties of SnO<sub>2</sub>
 codoped with Mn and Co impurities (Sn<sub>0.90</sub>
(Mn<sub>0.05</sub>
, Co<sub>0.05</sub>
)O<sub>2</sub>
) within the self-interaction-corrected (SIC) local density approximation. Mechanism of hybridization and interaction between magnetic ions in Sn<sub>0.90</sub>
(Mn<sub>0.05</sub>
, Co<sub>0.05</sub>
)O<sub>2</sub>
 is investigated. The band structure model has been used to explain the strong ferrimagnetic interaction observed and the mechanism that stabilizes this state is proposed.</div>
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Mn<sub>0.05</sub>
Co<sub>0.05</sub>
O<sub>2</sub>
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 codoped with Mn and Co impurities (Sn<sub>0.90</sub>
(Mn<sub>0.05</sub>
, Co<sub>0.05</sub>
)O<sub>2</sub>
) within the self-interaction-corrected (SIC) local density approximation. Mechanism of hybridization and interaction between magnetic ions in Sn<sub>0.90</sub>
(Mn<sub>0.05</sub>
, Co<sub>0.05</sub>
)O<sub>2</sub>
 is investigated. The band structure model has been used to explain the strong ferrimagnetic interaction observed and the mechanism that stabilizes this state is proposed.</s0>
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<s5>43</s5>
</fC03>
<fC03 i1="05" i2="3" l="FRE"><s0>Méthode fonctionnelle densité</s0>
<s5>44</s5>
</fC03>
<fC03 i1="05" i2="3" l="ENG"><s0>Density functional method</s0>
<s5>44</s5>
</fC03>
<fC03 i1="06" i2="3" l="FRE"><s0>Calcul KKR</s0>
<s5>45</s5>
</fC03>
<fC03 i1="06" i2="3" l="ENG"><s0>KKR calculations</s0>
<s5>45</s5>
</fC03>
<fC03 i1="07" i2="3" l="FRE"><s0>Calcul CPA</s0>
<s5>46</s5>
</fC03>
<fC03 i1="07" i2="3" l="ENG"><s0>CPA calculations</s0>
<s5>46</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE"><s0>Composé minéral</s0>
<s5>50</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG"><s0>Inorganic compounds</s0>
<s5>50</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE"><s0>Matériau dopé</s0>
<s5>51</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Doped materials</s0>
<s5>51</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE"><s0>Codopage</s0>
<s5>57</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Codoping</s0>
<s5>57</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Codrogado</s0>
<s5>57</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Matériau ferrimagnétique</s0>
<s5>61</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG"><s0>Ferrimagnetic materials</s0>
<s5>61</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Oxyde d'étain</s0>
<s5>62</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Tin oxide</s0>
<s5>62</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Estaño óxido</s0>
<s5>62</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>Addition manganèse</s0>
<s5>63</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG"><s0>Manganese additions</s0>
<s5>63</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE"><s0>Impureté magnétique</s0>
<s5>64</s5>
</fC03>
<fC03 i1="14" i2="3" l="ENG"><s0>Magnetic impurities</s0>
<s5>64</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE"><s0>Addition cobalt</s0>
<s5>65</s5>
</fC03>
<fC03 i1="15" i2="3" l="ENG"><s0>Cobalt additions</s0>
<s5>65</s5>
</fC03>
<fC03 i1="16" i2="X" l="FRE"><s0>Approximation densité locale</s0>
<s5>66</s5>
</fC03>
<fC03 i1="16" i2="X" l="ENG"><s0>Local density approximation</s0>
<s5>66</s5>
</fC03>
<fC03 i1="16" i2="X" l="SPA"><s0>Aproximación densidad local</s0>
<s5>66</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE"><s0>Hybridation</s0>
<s5>67</s5>
</fC03>
<fC03 i1="17" i2="3" l="ENG"><s0>Hybridization</s0>
<s5>67</s5>
</fC03>
<fC03 i1="18" i2="3" l="FRE"><s0>Structure bande</s0>
<s5>68</s5>
</fC03>
<fC03 i1="18" i2="3" l="ENG"><s0>Band structure</s0>
<s5>68</s5>
</fC03>
<fC03 i1="19" i2="3" l="FRE"><s0>Théorie bandes</s0>
<s5>69</s5>
</fC03>
<fC03 i1="19" i2="3" l="ENG"><s0>Band theory</s0>
<s5>69</s5>
</fC03>
<fC03 i1="20" i2="3" l="FRE"><s0>SnO2</s0>
<s4>INC</s4>
<s5>83</s5>
</fC03>
<fC03 i1="21" i2="3" l="FRE"><s0>7115M</s0>
<s4>INC</s4>
<s5>84</s5>
</fC03>
<fC03 i1="22" i2="3" l="FRE"><s0>7550P</s0>
<s4>INC</s4>
<s5>92</s5>
</fC03>
<fN21><s1>268</s1>
</fN21>
</pA>
</standard>
</inist>
<affiliations><list><country><li>Maroc</li>
</country>
<region><li>Rabat-Salé-Kénitra</li>
</region>
<settlement><li>Rabat</li>
</settlement>
</list>
<tree><country name="Maroc"><region name="Rabat-Salé-Kénitra"><name sortKey="Mounkachi, O" sort="Mounkachi, O" uniqKey="Mounkachi O" first="O." last="Mounkachi">O. Mounkachi</name>
</region>
<name sortKey="Benyoussef, A" sort="Benyoussef, A" uniqKey="Benyoussef A" first="A." last="Benyoussef">A. Benyoussef</name>
<name sortKey="Benyoussef, A" sort="Benyoussef, A" uniqKey="Benyoussef A" first="A." last="Benyoussef">A. Benyoussef</name>
<name sortKey="Benyoussef, A" sort="Benyoussef, A" uniqKey="Benyoussef A" first="A." last="Benyoussef">A. Benyoussef</name>
<name sortKey="El Moussaoui, H" sort="El Moussaoui, H" uniqKey="El Moussaoui H" first="H." last="El Moussaoui">H. El Moussaoui</name>
<name sortKey="El Moussaoui, H" sort="El Moussaoui, H" uniqKey="El Moussaoui H" first="H." last="El Moussaoui">H. El Moussaoui</name>
<name sortKey="Ez Zahraouy, H" sort="Ez Zahraouy, H" uniqKey="Ez Zahraouy H" first="H." last="Ez-Zahraouy">H. Ez-Zahraouy</name>
<name sortKey="Hamedoun, M" sort="Hamedoun, M" uniqKey="Hamedoun M" first="M." last="Hamedoun">M. Hamedoun</name>
<name sortKey="Salmani, E" sort="Salmani, E" uniqKey="Salmani E" first="E." last="Salmani">E. Salmani</name>
</country>
</tree>
</affiliations>
</record>

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	Serveur d'exploration sur le cobalt au Maghreb
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Serveur d'exploration sur le cobalt au Maghreb

Ab-initio Calculation of Half-Metal Ferrimagnetic Sn0.9Mn0.05Co0.05O2

Ab-initio Calculation of Half-Metal Ferrimagnetic Sn0.9Mn0.05Co0.05O2

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