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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 : 000061 ( PascalFrancis/Curation ); précédent : 000060; suivant : 000062

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)

Auteurs : A. Kellou [Algérie] ; N. E. Fenineche [France] ; A. Tadjer [Algérie] ; H. Aourag [Algérie, France]

Source :

RBID : Pascal:03-0305008

Descripteurs français

English descriptors

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.
pA  
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A02 01      @0 MCHPDR
A03   1    @0 Mater. chem. phys.
A05       @2 80
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A08 01  1  ENG  @1 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)
A11 01  1    @1 KELLOU (A.)
A11 02  1    @1 FENINECHE (N. E.)
A11 03  1    @1 TADJER (A.)
A11 04  1    @1 AOURAG (H.)
A14 01      @1 C. M. S. L., Research Center of University, Faculty of Sciences, University of Sidi-Bel-Abbés @2 Sidi-Bel-Abbés 22000 @3 DZA @Z 1 aut. @Z 3 aut. @Z 4 aut.
A14 02      @1 LERMPS, Université de Belfort-Montbeliard, Site de Sévenans @2 Belfort 90010 @3 FRA @Z 2 aut. @Z 4 aut.
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A21       @1 2003
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A44       @0 0000 @1 © 2003 INIST-CNRS. All rights reserved.
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A60       @1 P
A61       @0 A
A64 01  1    @0 Materials chemistry and physics
A66 01      @0 CHE
C01 01    ENG  @0 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.
C02 01  3    @0 001B70E70A
C03 01  3  FRE  @0 Couche mince @5 01
C03 01  3  ENG  @0 Thin films @5 01
C03 02  3  FRE  @0 Couche mince magnétique @5 02
C03 02  3  ENG  @0 Magnetic thin films @5 02
C03 03  X  FRE  @0 Accouplement magnétique @5 03
C03 03  X  ENG  @0 Magnetic coupling @5 03
C03 03  X  SPA  @0 Acoplamiento magnético @5 03
C03 04  3  FRE  @0 Chrome @2 NC @5 04
C03 04  3  ENG  @0 Chromium @2 NC @5 04
C03 05  3  FRE  @0 Couche monomoléculaire @5 05
C03 05  3  ENG  @0 Monolayers @5 05
C03 06  3  FRE  @0 Titane @2 NC @5 06
C03 06  3  ENG  @0 Titanium @2 NC @5 06
C03 07  3  FRE  @0 Vanadium @2 NC @5 07
C03 07  3  ENG  @0 Vanadium @2 NC @5 07
C03 08  3  FRE  @0 Manganèse @2 NC @5 09
C03 08  3  ENG  @0 Manganese @2 NC @5 09
C03 09  3  FRE  @0 Fer @2 NC @5 10
C03 09  3  ENG  @0 Iron @2 NC @5 10
C03 10  3  FRE  @0 Ferromagnétisme @5 11
C03 10  3  ENG  @0 Ferromagnetism @5 11
C03 11  3  FRE  @0 Antiferromagnétisme @5 12
C03 11  3  ENG  @0 Antiferromagnetism @5 12
C03 12  3  FRE  @0 Etude expérimentale @5 13
C03 12  3  ENG  @0 Experimental study @5 13
C03 13  3  FRE  @0 Cobalt @2 NC @5 23
C03 13  3  ENG  @0 Cobalt @2 NC @5 23
C03 14  3  FRE  @0 Nickel @2 NC @5 24
C03 14  3  ENG  @0 Nickel @2 NC @5 24
C03 15  3  FRE  @0 7570A @2 PAC @4 INC @5 95
N21       @1 202
N82       @1 PSI

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Pascal:03-0305008

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<term>Antiferromagnetism</term>
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<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>
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<term>Couche monomoléculaire</term>
<term>Titane</term>
<term>Vanadium</term>
<term>Manganèse</term>
<term>Fer</term>
<term>Ferromagnétisme</term>
<term>Antiferromagnétisme</term>
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<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>
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<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. 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.</s0>
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<s5>04</s5>
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<s5>07</s5>
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<s0>Vanadium</s0>
<s2>NC</s2>
<s5>07</s5>
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<fC03 i1="08" i2="3" l="FRE">
<s0>Manganèse</s0>
<s2>NC</s2>
<s5>09</s5>
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<fC03 i1="08" i2="3" l="ENG">
<s0>Manganese</s0>
<s2>NC</s2>
<s5>09</s5>
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<fC03 i1="09" i2="3" l="FRE">
<s0>Fer</s0>
<s2>NC</s2>
<s5>10</s5>
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<fC03 i1="09" i2="3" l="ENG">
<s0>Iron</s0>
<s2>NC</s2>
<s5>10</s5>
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<fC03 i1="10" i2="3" l="FRE">
<s0>Ferromagnétisme</s0>
<s5>11</s5>
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<fC03 i1="10" i2="3" l="ENG">
<s0>Ferromagnetism</s0>
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<s0>Antiferromagnétisme</s0>
<s5>12</s5>
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<fC03 i1="11" i2="3" l="ENG">
<s0>Antiferromagnetism</s0>
<s5>12</s5>
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<s0>Etude expérimentale</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="3" l="ENG">
<s0>Experimental study</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE">
<s0>Cobalt</s0>
<s2>NC</s2>
<s5>23</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG">
<s0>Cobalt</s0>
<s2>NC</s2>
<s5>23</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE">
<s0>Nickel</s0>
<s2>NC</s2>
<s5>24</s5>
</fC03>
<fC03 i1="14" i2="3" l="ENG">
<s0>Nickel</s0>
<s2>NC</s2>
<s5>24</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE">
<s0>7570A</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>95</s5>
</fC03>
<fN21>
<s1>202</s1>
</fN21>
<fN82>
<s1>PSI</s1>
</fN82>
</pA>
</standard>
</inist>
</record>

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   |texte=   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)
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