Metal Flux Crystal Growth Technique in the Determination of Ordered Superstructure in EuInGe
Identifieur interne : 000913 ( Main/Repository ); précédent : 000912; suivant : 000914Metal Flux Crystal Growth Technique in the Determination of Ordered Superstructure in EuInGe
Auteurs : RBID : Pascal:13-0134280Descripteurs français
- Pascal (Inist)
- Méthode fondant, Croissance cristalline, Surstructure, Perfection cristalline, Indium, Diffraction RX, Structure cristalline, Groupe espace, Diagramme poudre, Réseau monoclinique, Aimantation, Dépendance température, Transition magnétique, Loi Curie Weiss, Monocristal, Nitrure de ruthénium, Nitrure de titane, Matériau paramagnétique, Moment magnétique, Europium, Spectrométrie Mössbauer, Méthode fonctionnelle densité, Approximation densité locale, Interaction coulombienne, Addition europium, Densité état, Niveau Fermi, Structure électronique, Structure bande, Energie totale, RuN, In, 8110F, 8110, 6166, 7530K.
English descriptors
- KwdEn :
- Band structure, Coulomb interaction, Crystal growth, Crystal perfection, Crystal structure, Curie-Weiss law, Density functional method, Density of states, Electronic structure, Europium, Europium additions, Fermi level, Flux growth, Indium, Local density approximation, Magnetic moments, Magnetic transitions, Magnetization, Moessbauer spectroscopy, Monoclinic lattices, Monocrystals, Paramagnetic materials, Powder pattern, Ruthenium nitride, Space groups, Superstructure, Temperature dependence, Titanium nitride, Total energy, XRD.
Abstract
High quality single crystals of EuInGe were grown from the reaction run with excess indium. X-ray diffraction investigations showed that EuInGe crystallizes with a pronounced subcell structure, superstructure of the ThSi2 type: Pnma space group, a = 4.9066(10) Å, b = 3.9834(8) Å and c = 15.964(3) Å. However, the powder X-ray pattern reveals weak superstructure reflections, and the inclusion of additional reflections in the analysis points to a new type of structural arrangement, in a monoclinic system, P2,/c space group, a = 7.9663(16) A, b = 4.9119(10) A, c = 16.465(5) Å, and β = 104.03°. Magnetization measurements carried out as a function of temperature show multiple magnetic transitions at 13, 25, 44, and 70 K. In the temperature region above 100 K, the Curie-Weiss law is followed indicating a paramagnetic state of the sample. Magnetic moments deduced from this region suggest europium to be in a divalent state, which was further confirmed by 151Eu Mössbauer spectroscopic measurements. Experiments were accompanied by first-principles density functional calculations using the fullpotential linear muffin-tin orbital method within the local density approximation (LSDA) and including the onsite Coulomb interaction (LSDA+U) for the Eu-f states. The density of states shows a pronounced pseudo gap feature around the Fermi level. The inclusion of a Hubbard U has only a minor effect on the band structure. From the calculated total energies the P21/c structure is favorable by 25 meV per formula unit when compared to the Pnma subcell structure.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Metal Flux Crystal Growth Technique in the Determination of Ordered Superstructure in EuInGe</title><author><name sortKey="Subbarao, Udumula" uniqKey="Subbarao U">Udumula Subbarao</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur</s1><s2>Bangalore, 560064-India</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>7 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Bangalore, 560064-India</wicri:noRegion></affiliation></author><author><name sortKey="Sebastian, Ashly" uniqKey="Sebastian A">Ashly Sebastian</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur</s1><s2>Bangalore, 560064-India</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>7 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Bangalore, 560064-India</wicri:noRegion></affiliation></author><author><name sortKey="Rayaprol, Sudhindra" uniqKey="Rayaprol S">Sudhindra Rayaprol</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>UGC-DAE Consortium for Scientific Research, Mumbai Centre, BARC, R-5 Shed</s1><s2>Trombay, Mumbai-400085</s2><s3>IND</s3><sZ>3 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Trombay, Mumbai-400085</wicri:noRegion></affiliation></author><author><name sortKey="Yadav, C S" uniqKey="Yadav C">C. S. Yadav</name><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>DCMP & MS, Tata Institute of Fundamental Research</s1><s2>Mumbai-400005</s2><s3>IND</s3><sZ>4 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Mumbai-400005</wicri:noRegion></affiliation></author><author><name sortKey="Svane, Axel" uniqKey="Svane A">Axel Svane</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Department of Physics and Astronomy, Aarhus University</s1><s2>8000 Aarhus</s2><s3>DNK</s3><sZ>5 aut.</sZ></inist:fA14><country>Danemark</country><wicri:noRegion>8000 Aarhus</wicri:noRegion></affiliation></author><author><name sortKey="Vaitheeswaran, G" uniqKey="Vaitheeswaran G">G. Vaitheeswaran</name><affiliation wicri:level="1"><inist:fA14 i1="05"><s1>Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road</s1><s2>Gachibowli, Hyderabad-500046</s2><s3>IND</s3><sZ>6 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Gachibowli, Hyderabad-500046</wicri:noRegion></affiliation></author><author><name sortKey="Peter, Sebastian C" uniqKey="Peter S">Sebastian C. Peter</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur</s1><s2>Bangalore, 560064-India</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>7 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Bangalore, 560064-India</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="inist">13-0134280</idno><date when="2013">2013</date><idno type="stanalyst">PASCAL 13-0134280 INIST</idno><idno type="RBID">Pascal:13-0134280</idno><idno type="wicri:Area/Main/Corpus">001016</idno><idno type="wicri:Area/Main/Repository">000913</idno></publicationStmt><seriesStmt><idno type="ISSN">1528-7483</idno><title level="j" type="abbreviated">Cryst. growth des.</title><title level="j" type="main">Crystal growth & design</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Band structure</term><term>Coulomb interaction</term><term>Crystal growth</term><term>Crystal perfection</term><term>Crystal structure</term><term>Curie-Weiss law</term><term>Density functional method</term><term>Density of states</term><term>Electronic structure</term><term>Europium</term><term>Europium additions</term><term>Fermi level</term><term>Flux growth</term><term>Indium</term><term>Local density approximation</term><term>Magnetic moments</term><term>Magnetic transitions</term><term>Magnetization</term><term>Moessbauer spectroscopy</term><term>Monoclinic lattices</term><term>Monocrystals</term><term>Paramagnetic materials</term><term>Powder pattern</term><term>Ruthenium nitride</term><term>Space groups</term><term>Superstructure</term><term>Temperature dependence</term><term>Titanium nitride</term><term>Total energy</term><term>XRD</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Méthode fondant</term><term>Croissance cristalline</term><term>Surstructure</term><term>Perfection cristalline</term><term>Indium</term><term>Diffraction RX</term><term>Structure cristalline</term><term>Groupe espace</term><term>Diagramme poudre</term><term>Réseau monoclinique</term><term>Aimantation</term><term>Dépendance température</term><term>Transition magnétique</term><term>Loi Curie Weiss</term><term>Monocristal</term><term>Nitrure de ruthénium</term><term>Nitrure de titane</term><term>Matériau paramagnétique</term><term>Moment magnétique</term><term>Europium</term><term>Spectrométrie Mössbauer</term><term>Méthode fonctionnelle densité</term><term>Approximation densité locale</term><term>Interaction coulombienne</term><term>Addition europium</term><term>Densité état</term><term>Niveau Fermi</term><term>Structure électronique</term><term>Structure bande</term><term>Energie totale</term><term>RuN</term><term>In</term><term>8110F</term><term>8110</term><term>6166</term><term>7530K</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">High quality single crystals of EuInGe were grown from the reaction run with excess indium. X-ray diffraction investigations showed that EuInGe crystallizes with a pronounced subcell structure, superstructure of the ThSi<sub>2</sub> type: Pnma space group, a = 4.9066(10) Å, b = 3.9834(8) Å and c = 15.964(3) Å. However, the powder X-ray pattern reveals weak superstructure reflections, and the inclusion of additional reflections in the analysis points to a new type of structural arrangement, in a monoclinic system, P2,/c space group, a = 7.9663(16) A, b = 4.9119(10) A, c = 16.465(5) Å, and β = 104.03°. Magnetization measurements carried out as a function of temperature show multiple magnetic transitions at 13, 25, 44, and 70 K. In the temperature region above 100 K, the Curie-Weiss law is followed indicating a paramagnetic state of the sample. Magnetic moments deduced from this region suggest europium to be in a divalent state, which was further confirmed by <sup>151</sup>Eu Mössbauer spectroscopic measurements. Experiments were accompanied by first-principles density functional calculations using the fullpotential linear muffin-tin orbital method within the local density approximation (LSDA) and including the onsite Coulomb interaction (LSDA+U) for the Eu-f states. The density of states shows a pronounced pseudo gap feature around the Fermi level. The inclusion of a Hubbard U has only a minor effect on the band structure. From the calculated total energies the P2<sub>1</sub>/c structure is favorable by 25 meV per formula unit when compared to the Pnma subcell structure.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>1528-7483</s0></fA01><fA03 i2="1"><s0>Cryst. growth des.</s0></fA03><fA05><s2>13</s2></fA05><fA06><s2>1</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Metal Flux Crystal Growth Technique in the Determination of Ordered Superstructure in EuInGe</s1></fA08><fA11 i1="01" i2="1"><s1>SUBBARAO (Udumula)</s1></fA11><fA11 i1="02" i2="1"><s1>SEBASTIAN (Ashly)</s1></fA11><fA11 i1="03" i2="1"><s1>RAYAPROL (Sudhindra)</s1></fA11><fA11 i1="04" i2="1"><s1>YADAV (C. S.)</s1></fA11><fA11 i1="05" i2="1"><s1>SVANE (Axel)</s1></fA11><fA11 i1="06" i2="1"><s1>VAITHEESWARAN (G.)</s1></fA11><fA11 i1="07" i2="1"><s1>PETER (Sebastian C.)</s1></fA11><fA14 i1="01"><s1>New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur</s1><s2>Bangalore, 560064-India</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>7 aut.</sZ></fA14><fA14 i1="02"><s1>UGC-DAE Consortium for Scientific Research, Mumbai Centre, BARC, R-5 Shed</s1><s2>Trombay, Mumbai-400085</s2><s3>IND</s3><sZ>3 aut.</sZ></fA14><fA14 i1="03"><s1>DCMP & MS, Tata Institute of Fundamental Research</s1><s2>Mumbai-400005</s2><s3>IND</s3><sZ>4 aut.</sZ></fA14><fA14 i1="04"><s1>Department of Physics and Astronomy, Aarhus University</s1><s2>8000 Aarhus</s2><s3>DNK</s3><sZ>5 aut.</sZ></fA14><fA14 i1="05"><s1>Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road</s1><s2>Gachibowli, Hyderabad-500046</s2><s3>IND</s3><sZ>6 aut.</sZ></fA14><fA20><s1>352-359</s1></fA20><fA21><s1>2013</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>27261</s2><s5>354000173257710440</s5></fA43><fA44><s0>0000</s0><s1>© 2013 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>56 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>13-0134280</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Crystal growth & design</s0></fA64><fA66 i1="01"><s0>USA</s0></fA66><fC01 i1="01" l="ENG"><s0>High quality single crystals of EuInGe were grown from the reaction run with excess indium. X-ray diffraction investigations showed that EuInGe crystallizes with a pronounced subcell structure, superstructure of the ThSi<sub>2</sub> type: Pnma space group, a = 4.9066(10) Å, b = 3.9834(8) Å and c = 15.964(3) Å. However, the powder X-ray pattern reveals weak superstructure reflections, and the inclusion of additional reflections in the analysis points to a new type of structural arrangement, in a monoclinic system, P2,/c space group, a = 7.9663(16) A, b = 4.9119(10) A, c = 16.465(5) Å, and β = 104.03°. Magnetization measurements carried out as a function of temperature show multiple magnetic transitions at 13, 25, 44, and 70 K. In the temperature region above 100 K, the Curie-Weiss law is followed indicating a paramagnetic state of the sample. Magnetic moments deduced from this region suggest europium to be in a divalent state, which was further confirmed by <sup>151</sup>Eu Mössbauer spectroscopic measurements. Experiments were accompanied by first-principles density functional calculations using the fullpotential linear muffin-tin orbital method within the local density approximation (LSDA) and including the onsite Coulomb interaction (LSDA+U) for the Eu-f states. The density of states shows a pronounced pseudo gap feature around the Fermi level. The inclusion of a Hubbard U has only a minor effect on the band structure. 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method</s0><s5>33</s5></fC03><fC03 i1="23" i2="X" l="FRE"><s0>Approximation densité locale</s0><s5>34</s5></fC03><fC03 i1="23" i2="X" l="ENG"><s0>Local density approximation</s0><s5>34</s5></fC03><fC03 i1="23" i2="X" l="SPA"><s0>Aproximación densidad local</s0><s5>34</s5></fC03><fC03 i1="24" i2="X" l="FRE"><s0>Interaction coulombienne</s0><s5>35</s5></fC03><fC03 i1="24" i2="X" l="ENG"><s0>Coulomb interaction</s0><s5>35</s5></fC03><fC03 i1="24" i2="X" l="SPA"><s0>Interacción coulombiana</s0><s5>35</s5></fC03><fC03 i1="25" i2="3" l="FRE"><s0>Addition europium</s0><s5>36</s5></fC03><fC03 i1="25" i2="3" l="ENG"><s0>Europium additions</s0><s5>36</s5></fC03><fC03 i1="26" i2="X" l="FRE"><s0>Densité état</s0><s5>37</s5></fC03><fC03 i1="26" i2="X" l="ENG"><s0>Density of states</s0><s5>37</s5></fC03><fC03 i1="26" i2="X" l="SPA"><s0>Densidad estado</s0><s5>37</s5></fC03><fC03 i1="27" i2="3" l="FRE"><s0>Niveau Fermi</s0><s5>38</s5></fC03><fC03 i1="27" i2="3" l="ENG"><s0>Fermi level</s0><s5>38</s5></fC03><fC03 i1="28" i2="3" l="FRE"><s0>Structure électronique</s0><s5>39</s5></fC03><fC03 i1="28" i2="3" l="ENG"><s0>Electronic structure</s0><s5>39</s5></fC03><fC03 i1="29" i2="3" l="FRE"><s0>Structure bande</s0><s5>40</s5></fC03><fC03 i1="29" i2="3" l="ENG"><s0>Band structure</s0><s5>40</s5></fC03><fC03 i1="30" i2="3" l="FRE"><s0>Energie totale</s0><s5>41</s5></fC03><fC03 i1="30" i2="3" l="ENG"><s0>Total energy</s0><s5>41</s5></fC03><fC03 i1="31" i2="3" l="FRE"><s0>RuN</s0><s4>INC</s4><s5>46</s5></fC03><fC03 i1="32" i2="3" l="FRE"><s0>In</s0><s4>INC</s4><s5>47</s5></fC03><fC03 i1="33" i2="3" l="FRE"><s0>8110F</s0><s4>INC</s4><s5>71</s5></fC03><fC03 i1="34" i2="3" l="FRE"><s0>8110</s0><s4>INC</s4><s5>72</s5></fC03><fC03 i1="35" i2="3" l="FRE"><s0>6166</s0><s4>INC</s4><s5>73</s5></fC03><fC03 i1="36" i2="3" l="FRE"><s0>7530K</s0><s4>INC</s4><s5>74</s5></fC03><fN21><s1>105</s1></fN21><fN44 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|flux= Main
|étape= Repository
|type= RBID
|clé= Pascal:13-0134280
|texte= Metal Flux Crystal Growth Technique in the Determination of Ordered Superstructure in EuInGe
}}
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