Ferromagnetic and antiferromagnetic couplings in Cr(0 0 1) thin films and TM monolayer/Cr(0 0 1) (TM = Ti, V, Cr, Mn, Fe, Co, Ni)
Identifieur interne : 000228 ( PascalFrancis/Checkpoint ); précédent : 000227; suivant : 000229Ferromagnetic and antiferromagnetic couplings in Cr(0 0 1) thin films and TM monolayer/Cr(0 0 1) (TM = Ti, V, Cr, Mn, Fe, Co, Ni)
Auteurs : A. Kellou [Algérie] ; N. E. Fenineche [France] ; A. Tadjer [Algérie] ; H. Aourag [Algérie, France]Source :
- Materials chemistry and physics [ 0254-0584 ] ; 2003.
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Abstract
Magnetic and electronic properties of Cr(001) thin films and transition metal monolayer (TM = Ti, V, Cr, Mn, Fe, Co, and Ni) on Cr(0 0 1) substrate are reported and discussed within the framework of first principle method based on density functional theory (DFT). In our calculations, we have considered two possible spin orientations leading to ferromagnetic (FM) and antiferromagnetic (AFM) coupling. The surface energy of Cr(0 1) is given and compared to experimental 4d metals values. Also, total and formation energies, total and local magnetic moments of TM/Cr(001) are determined for both ferromagnetic and antiferromagnetic configurations and compared to other works. Thus, Cr layers in Cr(00 1) thin films remain antiferromagnetically coupled, as in bulk Cr or Cr2 molecule. The same behavior is found for Ti, V, and Cr in TM/Cr(00 1), quite the opposite, Mn, Fe, Co, and Ni prefer to be ferromagnetically coupled to Cr subsurface layer, and only Mn and Fe in the ferromagnetic coupling have induced a spin-switch in all Cr layers. We have also reported the polarized densities of states of each layer in the ground state of TM/Cr(0 01) systems, showing the same behavior as concluded from energy and magnetic results.
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Fenineche</name><affiliation wicri:level="3"><inist:fA14 i1="02"><s1>LERMPS, Université de Belfort-Montbeliard, Site de Sévenans</s1><s2>Belfort 90010</s2><s3>FRA</s3><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Bourgogne-Franche-Comté</region><region type="old region" nuts="2">Franche-Comté</region></placeName></affiliation></author><author><name sortKey="Tadjer, A" sort="Tadjer, A" uniqKey="Tadjer A" first="A." last="Tadjer">A. Tadjer</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>C. M. S. L., Research Center of University, Faculty of Sciences, University of Sidi-Bel-Abbés</s1><s2>Sidi-Bel-Abbés 22000</s2><s3>DZA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Algérie</country><wicri:noRegion>Sidi-Bel-Abbés 22000</wicri:noRegion></affiliation></author><author><name sortKey="Aourag, H" sort="Aourag, H" uniqKey="Aourag H" first="H." last="Aourag">H. 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Kellou</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>C. M. S. L., Research Center of University, Faculty of Sciences, University of Sidi-Bel-Abbés</s1><s2>Sidi-Bel-Abbés 22000</s2><s3>DZA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Algérie</country><wicri:noRegion>Sidi-Bel-Abbés 22000</wicri:noRegion></affiliation></author><author><name sortKey="Fenineche, N E" sort="Fenineche, N E" uniqKey="Fenineche N" first="N. E." last="Fenineche">N. E. Fenineche</name><affiliation wicri:level="3"><inist:fA14 i1="02"><s1>LERMPS, Université de Belfort-Montbeliard, Site de Sévenans</s1><s2>Belfort 90010</s2><s3>FRA</s3><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Bourgogne-Franche-Comté</region><region type="old region" nuts="2">Franche-Comté</region></placeName></affiliation></author><author><name sortKey="Tadjer, A" sort="Tadjer, A" uniqKey="Tadjer A" first="A." last="Tadjer">A. Tadjer</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>C. M. S. L., Research Center of University, Faculty of Sciences, University of Sidi-Bel-Abbés</s1><s2>Sidi-Bel-Abbés 22000</s2><s3>DZA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Algérie</country><wicri:noRegion>Sidi-Bel-Abbés 22000</wicri:noRegion></affiliation></author><author><name sortKey="Aourag, H" sort="Aourag, H" uniqKey="Aourag H" first="H." last="Aourag">H. Aourag</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>C. M. S. L., Research Center of University, Faculty of Sciences, University of Sidi-Bel-Abbés</s1><s2>Sidi-Bel-Abbés 22000</s2><s3>DZA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Algérie</country><wicri:noRegion>Sidi-Bel-Abbés 22000</wicri:noRegion></affiliation><affiliation wicri:level="3"><inist:fA14 i1="02"><s1>LERMPS, Université de Belfort-Montbeliard, Site de Sévenans</s1><s2>Belfort 90010</s2><s3>FRA</s3><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Bourgogne-Franche-Comté</region><region type="old region" nuts="2">Franche-Comté</region></placeName></affiliation></author></analytic><series><title level="j" type="main">Materials chemistry and physics</title><title level="j" type="abbreviated">Mater. chem. phys.</title><idno type="ISSN">0254-0584</idno><imprint><date when="2003">2003</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Materials chemistry and physics</title><title level="j" type="abbreviated">Mater. chem. phys.</title><idno type="ISSN">0254-0584</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Antiferromagnetism</term><term>Chromium</term><term>Cobalt</term><term>Experimental study</term><term>Ferromagnetism</term><term>Iron</term><term>Magnetic coupling</term><term>Magnetic thin films</term><term>Manganese</term><term>Monolayers</term><term>Nickel</term><term>Thin films</term><term>Titanium</term><term>Vanadium</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Couche mince</term><term>Couche mince magnétique</term><term>Accouplement magnétique</term><term>Chrome</term><term>Couche monomoléculaire</term><term>Titane</term><term>Vanadium</term><term>Manganèse</term><term>Fer</term><term>Ferromagnétisme</term><term>Antiferromagnétisme</term><term>Etude expérimentale</term><term>Cobalt</term><term>Nickel</term><term>7570A</term></keywords><keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Chrome</term><term>Titane</term><term>Vanadium</term><term>Manganèse</term><term>Fer</term><term>Cobalt</term><term>Nickel</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Magnetic and electronic properties of Cr(001) thin films and transition metal monolayer (TM = Ti, V, Cr, Mn, Fe, Co, and Ni) on Cr(0 0 1) substrate are reported and discussed within the framework of first principle method based on density functional theory (DFT). In our calculations, we have considered two possible spin orientations leading to ferromagnetic (FM) and antiferromagnetic (AFM) coupling. The surface energy of Cr(0 1) is given and compared to experimental 4d metals values. Also, total and formation energies, total and local magnetic moments of TM/Cr(001) are determined for both ferromagnetic and antiferromagnetic configurations and compared to other works. Thus, Cr layers in Cr(00 1) thin films remain antiferromagnetically coupled, as in bulk Cr or Cr<sub>2</sub> molecule. The same behavior is found for Ti, V, and Cr in TM/Cr(00 1), quite the opposite, Mn, Fe, Co, and Ni prefer to be ferromagnetically coupled to Cr subsurface layer, and only Mn and Fe in the ferromagnetic coupling have induced a spin-switch in all Cr layers. We have also reported the polarized densities of states of each layer in the ground state of TM/Cr(0 01) systems, showing the same behavior as concluded from energy and magnetic results.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0254-0584</s0></fA01><fA02 i1="01"><s0>MCHPDR</s0></fA02><fA03 i2="1"><s0>Mater. chem. phys.</s0></fA03><fA05><s2>80</s2></fA05><fA06><s2>1</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Ferromagnetic and antiferromagnetic couplings in Cr(0 0 1) thin films and TM monolayer/Cr(0 0 1) (TM = Ti, V, Cr, Mn, Fe, Co, Ni)</s1></fA08><fA11 i1="01" i2="1"><s1>KELLOU (A.)</s1></fA11><fA11 i1="02" i2="1"><s1>FENINECHE (N. E.)</s1></fA11><fA11 i1="03" i2="1"><s1>TADJER (A.)</s1></fA11><fA11 i1="04" i2="1"><s1>AOURAG (H.)</s1></fA11><fA14 i1="01"><s1>C. M. S. L., Research Center of University, Faculty of Sciences, University of Sidi-Bel-Abbés</s1><s2>Sidi-Bel-Abbés 22000</s2><s3>DZA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></fA14><fA14 i1="02"><s1>LERMPS, Université de Belfort-Montbeliard, Site de Sévenans</s1><s2>Belfort 90010</s2><s3>FRA</s3><sZ>2 aut.</sZ><sZ>4 aut.</sZ></fA14><fA20><s1>215-221</s1></fA20><fA21><s1>2003</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>17552</s2><s5>354000118040940350</s5></fA43><fA44><s0>0000</s0><s1>© 2003 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>51 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>03-0305008</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Materials chemistry and physics</s0></fA64><fA66 i1="01"><s0>CHE</s0></fA66><fC01 i1="01" l="ENG"><s0>Magnetic and electronic properties of Cr(001) thin films and transition metal monolayer (TM = Ti, V, Cr, Mn, Fe, Co, and Ni) on Cr(0 0 1) substrate are reported and discussed within the framework of first principle method based on density functional theory (DFT). In our calculations, we have considered two possible spin orientations leading to ferromagnetic (FM) and antiferromagnetic (AFM) coupling. The surface energy of Cr(0 1) is given and compared to experimental 4d metals values. Also, total and formation energies, total and local magnetic moments of TM/Cr(001) are determined for both ferromagnetic and antiferromagnetic configurations and compared to other works. Thus, Cr layers in Cr(00 1) thin films remain antiferromagnetically coupled, as in bulk Cr or Cr<sub>2</sub> molecule. The same behavior is found for Ti, V, and Cr in TM/Cr(00 1), quite the opposite, Mn, Fe, Co, and Ni prefer to be ferromagnetically coupled to Cr subsurface layer, and only Mn and Fe in the ferromagnetic coupling have induced a spin-switch in all Cr layers. 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Kellou</name></noRegion><name sortKey="Aourag, H" sort="Aourag, H" uniqKey="Aourag H" first="H." last="Aourag">H. Aourag</name><name sortKey="Tadjer, A" sort="Tadjer, A" uniqKey="Tadjer A" first="A." last="Tadjer">A. Tadjer</name></country><country name="France"><region name="Bourgogne-Franche-Comté"><name sortKey="Fenineche, N E" sort="Fenineche, N E" uniqKey="Fenineche N" first="N. E." last="Fenineche">N. E. Fenineche</name></region><name sortKey="Aourag, H" sort="Aourag, H" uniqKey="Aourag H" first="H." last="Aourag">H. Aourag</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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