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Serveur d'exploration sur le cobalt au Maghreb

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Ab initio investigations of the electronic and magnetic structures of CoH and CoH2

Identifieur interne : 000025 ( PascalFrancis/Corpus ); précédent : 000024; suivant : 000026

Ab initio investigations of the electronic and magnetic structures of CoH and CoH2

Auteurs : R. Riane ; A. Abdiche ; L. Hamerelaine ; M. Guemmou ; N. Ouaini ; S. F. Matar

Source :

RBID : Pascal:13-0279766

Descripteurs français

English descriptors

Abstract

First principles investigation of the structural, electronic and magnetic properties study of cobalt and the hydrides CoHx (x = 1, 2) show significant volume expansion effect versus Co-H bonding. As hydrogen is incorporated in the cobalt lattice, the density of states undergoes gradual modifications within the valence band and particularly near the Fermi level. A resulting strong reduction of magnetization characterizes the dihydride whereas the monohydride is revealed as a strong ferromagnet, like Co.

Notice en format standard (ISO 2709)

Pour connaître la documentation sur le format Inist Standard.

pA  
A01 01  1    @0 1293-2558
A03   1    @0 Solid state sci.
A05       @2 22
A08 01  1  ENG  @1 Ab initio investigations of the electronic and magnetic structures of CoH and CoH2
A11 01  1    @1 RIANE (R.)
A11 02  1    @1 ABDICHE (A.)
A11 03  1    @1 HAMERELAINE (L.)
A11 04  1    @1 GUEMMOU (M.)
A11 05  1    @1 OUAINI (N.)
A11 06  1    @1 MATAR (S. F.)
A14 01      @1 Applied Physics Laboratory, University of Ibn Khaldolln @2 Tiaret @3 DZA @Z 1 aut. @Z 2 aut. @Z 4 aut.
A14 02      @1 LSF, University of Laghouat @2 Laghouat 03 @3 DZA @Z 3 aut.
A14 03      @1 USEK- CSR - CNRSL @2 Kaslik-Jounieh @3 LBN @Z 5 aut.
A14 04      @1 CNRS, ICMCB, UPR 9048 @2 33600 Pessac @3 FRA @Z 6 aut.
A14 05      @1 Univ. Bordeaux, ICMCB, UPR 9048 @2 33600 Pessac @3 FRA @Z 6 aut.
A20       @1 77-81
A21       @1 2013
A23 01      @0 ENG
A43 01      @1 INIST @2 11118 @5 354000503676310120
A44       @0 0000 @1 © 2013 INIST-CNRS. All rights reserved.
A45       @0 26 ref.
A47 01  1    @0 13-0279766
A60       @1 P
A61       @0 A
A64 01  1    @0 Solid state sciences
A66 01      @0 FRA
C01 01    ENG  @0 First principles investigation of the structural, electronic and magnetic properties study of cobalt and the hydrides CoHx (x = 1, 2) show significant volume expansion effect versus Co-H bonding. As hydrogen is incorporated in the cobalt lattice, the density of states undergoes gradual modifications within the valence band and particularly near the Fermi level. A resulting strong reduction of magnetization characterizes the dihydride whereas the monohydride is revealed as a strong ferromagnet, like Co.
C02 01  3    @0 001B70A18
C02 02  3    @0 001B70A15
C03 01  3  FRE  @0 Calcul ab initio @5 01
C03 01  3  ENG  @0 Ab initio calculations @5 01
C03 02  3  FRE  @0 Structure électronique @5 02
C03 02  3  ENG  @0 Electronic structure @5 02
C03 03  3  FRE  @0 Structure magnétique @5 03
C03 03  3  ENG  @0 Magnetic structure @5 03
C03 04  X  FRE  @0 Propriété électronique @5 04
C03 04  X  ENG  @0 Electronic properties @5 04
C03 04  X  SPA  @0 Propiedad electrónica @5 04
C03 05  3  FRE  @0 Propriété magnétique @5 05
C03 05  3  ENG  @0 Magnetic properties @5 05
C03 06  3  FRE  @0 Cobalt @2 NC @5 06
C03 06  3  ENG  @0 Cobalt @2 NC @5 06
C03 07  3  FRE  @0 Hydrure @2 NA @5 07
C03 07  3  ENG  @0 Hydrides @2 NA @5 07
C03 08  X  FRE  @0 Expansion volume @5 08
C03 08  X  ENG  @0 Volume expansion @5 08
C03 08  X  SPA  @0 Expansión volumen @5 08
C03 09  3  FRE  @0 Liaison hydrogène @5 09
C03 09  3  ENG  @0 Hydrogen bonds @5 09
C03 10  X  FRE  @0 Densité état @5 10
C03 10  X  ENG  @0 Density of states @5 10
C03 10  X  SPA  @0 Densidad estado @5 10
C03 11  3  FRE  @0 Bande valence @5 11
C03 11  3  ENG  @0 Valence bands @5 11
C03 12  3  FRE  @0 Niveau Fermi @5 12
C03 12  3  ENG  @0 Fermi level @5 12
C03 13  3  FRE  @0 Aimantation @5 13
C03 13  3  ENG  @0 Magnetization @5 13
C03 14  3  FRE  @0 Méthode fonctionnelle densité @5 14
C03 14  3  ENG  @0 Density functional method @5 14
C03 15  3  FRE  @0 Matériau ferromagnétique @5 15
C03 15  3  ENG  @0 Ferromagnetic materials @5 15
C03 16  3  FRE  @0 Calcul APW @5 29
C03 16  3  ENG  @0 APW calculations @5 29
C03 17  3  FRE  @0 7118 @4 INC @5 71
C03 18  3  FRE  @0 7115M @4 INC @5 72
C03 19  3  FRE  @0 7115A @4 INC @5 73
C03 20  3  FRE  @0 7115 @4 INC @5 74
N21       @1 266
N44 01      @1 OTO
N82       @1 OTO

Format Inist (serveur)

NO : PASCAL 13-0279766 INIST
ET : Ab initio investigations of the electronic and magnetic structures of CoH and CoH2
AU : RIANE (R.); ABDICHE (A.); HAMERELAINE (L.); GUEMMOU (M.); OUAINI (N.); MATAR (S. F.)
AF : Applied Physics Laboratory, University of Ibn Khaldolln/Tiaret/Algérie (1 aut., 2 aut., 4 aut.); LSF, University of Laghouat/Laghouat 03/Algérie (3 aut.); USEK- CSR - CNRSL/Kaslik-Jounieh/Liban (5 aut.); CNRS, ICMCB, UPR 9048/33600 Pessac/France (6 aut.); Univ. Bordeaux, ICMCB, UPR 9048/33600 Pessac/France (6 aut.)
DT : Publication en série; Niveau analytique
SO : Solid state sciences; ISSN 1293-2558; France; Da. 2013; Vol. 22; Pp. 77-81; Bibl. 26 ref.
LA : Anglais
EA : First principles investigation of the structural, electronic and magnetic properties study of cobalt and the hydrides CoHx (x = 1, 2) show significant volume expansion effect versus Co-H bonding. As hydrogen is incorporated in the cobalt lattice, the density of states undergoes gradual modifications within the valence band and particularly near the Fermi level. A resulting strong reduction of magnetization characterizes the dihydride whereas the monohydride is revealed as a strong ferromagnet, like Co.
CC : 001B70A18; 001B70A15
FD : Calcul ab initio; Structure électronique; Structure magnétique; Propriété électronique; Propriété magnétique; Cobalt; Hydrure; Expansion volume; Liaison hydrogène; Densité état; Bande valence; Niveau Fermi; Aimantation; Méthode fonctionnelle densité; Matériau ferromagnétique; Calcul APW; 7118; 7115M; 7115A; 7115
ED : Ab initio calculations; Electronic structure; Magnetic structure; Electronic properties; Magnetic properties; Cobalt; Hydrides; Volume expansion; Hydrogen bonds; Density of states; Valence bands; Fermi level; Magnetization; Density functional method; Ferromagnetic materials; APW calculations
SD : Propiedad electrónica; Expansión volumen; Densidad estado
LO : INIST-11118.354000503676310120
ID : 13-0279766

Links to Exploration step

Pascal:13-0279766

Le document en format XML

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<div type="abstract" xml:lang="en">First principles investigation of the structural, electronic and magnetic properties study of cobalt and the hydrides CoH
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<fC03 i1="07" i2="3" l="ENG">
<s0>Hydrides</s0>
<s2>NA</s2>
<s5>07</s5>
</fC03>
<fC03 i1="08" i2="X" l="FRE">
<s0>Expansion volume</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="ENG">
<s0>Volume expansion</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="SPA">
<s0>Expansión volumen</s0>
<s5>08</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE">
<s0>Liaison hydrogène</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG">
<s0>Hydrogen bonds</s0>
<s5>09</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE">
<s0>Densité état</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG">
<s0>Density of states</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA">
<s0>Densidad estado</s0>
<s5>10</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE">
<s0>Bande valence</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG">
<s0>Valence bands</s0>
<s5>11</s5>
</fC03>
<fC03 i1="12" i2="3" l="FRE">
<s0>Niveau Fermi</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="3" l="ENG">
<s0>Fermi level</s0>
<s5>12</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE">
<s0>Aimantation</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG">
<s0>Magnetization</s0>
<s5>13</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE">
<s0>Méthode fonctionnelle densité</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="3" l="ENG">
<s0>Density functional method</s0>
<s5>14</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE">
<s0>Matériau ferromagnétique</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="3" l="ENG">
<s0>Ferromagnetic materials</s0>
<s5>15</s5>
</fC03>
<fC03 i1="16" i2="3" l="FRE">
<s0>Calcul APW</s0>
<s5>29</s5>
</fC03>
<fC03 i1="16" i2="3" l="ENG">
<s0>APW calculations</s0>
<s5>29</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE">
<s0>7118</s0>
<s4>INC</s4>
<s5>71</s5>
</fC03>
<fC03 i1="18" i2="3" l="FRE">
<s0>7115M</s0>
<s4>INC</s4>
<s5>72</s5>
</fC03>
<fC03 i1="19" i2="3" l="FRE">
<s0>7115A</s0>
<s4>INC</s4>
<s5>73</s5>
</fC03>
<fC03 i1="20" i2="3" l="FRE">
<s0>7115</s0>
<s4>INC</s4>
<s5>74</s5>
</fC03>
<fN21>
<s1>266</s1>
</fN21>
<fN44 i1="01">
<s1>OTO</s1>
</fN44>
<fN82>
<s1>OTO</s1>
</fN82>
</pA>
</standard>
<server>
<NO>PASCAL 13-0279766 INIST</NO>
<ET>Ab initio investigations of the electronic and magnetic structures of CoH and CoH
<sub>2</sub>
</ET>
<AU>RIANE (R.); ABDICHE (A.); HAMERELAINE (L.); GUEMMOU (M.); OUAINI (N.); MATAR (S. F.)</AU>
<AF>Applied Physics Laboratory, University of Ibn Khaldolln/Tiaret/Algérie (1 aut., 2 aut., 4 aut.); LSF, University of Laghouat/Laghouat 03/Algérie (3 aut.); USEK- CSR - CNRSL/Kaslik-Jounieh/Liban (5 aut.); CNRS, ICMCB, UPR 9048/33600 Pessac/France (6 aut.); Univ. Bordeaux, ICMCB, UPR 9048/33600 Pessac/France (6 aut.)</AF>
<DT>Publication en série; Niveau analytique</DT>
<SO>Solid state sciences; ISSN 1293-2558; France; Da. 2013; Vol. 22; Pp. 77-81; Bibl. 26 ref.</SO>
<LA>Anglais</LA>
<EA>First principles investigation of the structural, electronic and magnetic properties study of cobalt and the hydrides CoH
<sub>x</sub>
(x = 1, 2) show significant volume expansion effect versus Co-H bonding. As hydrogen is incorporated in the cobalt lattice, the density of states undergoes gradual modifications within the valence band and particularly near the Fermi level. A resulting strong reduction of magnetization characterizes the dihydride whereas the monohydride is revealed as a strong ferromagnet, like Co.</EA>
<CC>001B70A18; 001B70A15</CC>
<FD>Calcul ab initio; Structure électronique; Structure magnétique; Propriété électronique; Propriété magnétique; Cobalt; Hydrure; Expansion volume; Liaison hydrogène; Densité état; Bande valence; Niveau Fermi; Aimantation; Méthode fonctionnelle densité; Matériau ferromagnétique; Calcul APW; 7118; 7115M; 7115A; 7115</FD>
<ED>Ab initio calculations; Electronic structure; Magnetic structure; Electronic properties; Magnetic properties; Cobalt; Hydrides; Volume expansion; Hydrogen bonds; Density of states; Valence bands; Fermi level; Magnetization; Density functional method; Ferromagnetic materials; APW calculations</ED>
<SD>Propiedad electrónica; Expansión volumen; Densidad estado</SD>
<LO>INIST-11118.354000503676310120</LO>
<ID>13-0279766</ID>
</server>
</inist>
</record>

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