First-principles study of structural, elastic, electronic, and thermal properties of the ternary intermetallic GdTiGe and GdTiSi View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2019-06

AUTHORS

O. Akel, B. Abbar, Z. F. Meghoufel, H. Abbassa, M. Benkadour Benatia

ABSTRACT

The full-potential linearized augmented plane wave (FP-LAPW) method using the generalized-gradient approximation (GGA) and the local density approximation (LDA) within the framework of density functional theory (DFT) is applied to the study of structural, elastic, electronic and thermal properties of CeScSi-type GdTiGe and CeFeSi-type GdTiSi intermetallic compounds. Elastic constants are calculated to investigate stability criteria and the mechanical nature of the studied materials. Both compounds are found to be mechanically anisotropic, and ductile, and meet the elastic stability criteria. To complete the fundamental characteristics of both compounds, we have analyzed the thermodynamic properties using the quasi-harmonic Debye model. The obtained results are in a favorable agreement with available experimental and theoretical data. More... »

PAGES

13

Journal

TITLE

Hyperfine Interactions

ISSUE

1

VOLUME

240

Author Affiliations

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s10751-018-1544-9

DOI

http://dx.doi.org/10.1007/s10751-018-1544-9

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1111753380


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0912", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Materials Engineering", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/09", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Engineering", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Universit\u00e9 Djillali Liabes", 
          "id": "https://www.grid.ac/institutes/grid.442529.c", 
          "name": [
            "Modeling and Simulation in Materials Science Laboratory, Djillali Liab\u00e8s University, 22000, Sidi Bel-Abbes, Algeria"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Akel", 
        "givenName": "O.", 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Universit\u00e9 Djillali Liabes", 
          "id": "https://www.grid.ac/institutes/grid.442529.c", 
          "name": [
            "Modeling and Simulation in Materials Science Laboratory, Djillali Liab\u00e8s University, 22000, Sidi Bel-Abbes, Algeria"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Abbar", 
        "givenName": "B.", 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "name": [
            "Structure, Elaboration and Applications of Molecular Materials (SEA2M), Exact Sciences and Computer Sciences Faculty, University of Abdelhamid Ibn Badis, 27000, Mostaganem, Algeria"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Meghoufel", 
        "givenName": "Z. F.", 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "name": [
            "Laboratory of Exact Sciences and Computer Sciences Faculty, University of Abdelhamid Ibn Badis, 27000, Mostaganem, Algeria"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Abbassa", 
        "givenName": "H.", 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "name": [
            "Structure, Elaboration and Applications of Molecular Materials (SEA2M), Exact Sciences and Computer Sciences Faculty, University of Abdelhamid Ibn Badis, 27000, Mostaganem, Algeria"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Benatia", 
        "givenName": "M. Benkadour", 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "https://doi.org/10.1016/j.comphy.2003.12.001", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1008107338"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0925-8388(99)00583-6", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1008465649"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1088/0953-8984/13/29/309", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1009622270"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1080/14786440808520496", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1012076321"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.ssc.2009.09.028", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1013053713"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0925-8388(98)00904-9", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1014524626"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0925-8388(98)00904-9", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1014524626"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0925-8388(98)00960-8", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017195313"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0925-8388(98)00960-8", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017195313"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.mseb.2006.02.066", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017276571"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1111/j.1151-2916.1988.tb05022.x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1021981966"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0925-8388(99)00037-7", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1028137352"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0925-8388(99)00037-7", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1028137352"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jallcom.2004.03.132", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1046792228"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jallcom.2004.03.132", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1046792228"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.commatsci.2006.10.003", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1048795526"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevb.41.10311", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060552946"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevb.41.10311", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060552946"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevlett.71.4182", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060808219"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevlett.71.4182", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060808219"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevlett.77.3865", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060814179"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevlett.77.3865", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060814179"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2019-06", 
    "datePublishedReg": "2019-06-01", 
    "description": "The full-potential linearized augmented plane wave (FP-LAPW) method using the generalized-gradient approximation (GGA) and the local density approximation (LDA) within the framework of density functional theory (DFT) is applied to the study of structural, elastic, electronic and thermal properties of CeScSi-type GdTiGe and CeFeSi-type GdTiSi intermetallic compounds. Elastic constants are calculated to investigate stability criteria and the mechanical nature of the studied materials. Both compounds are found to be mechanically anisotropic, and ductile, and meet the elastic stability criteria. To complete the fundamental characteristics of both compounds, we have analyzed the thermodynamic properties using the quasi-harmonic Debye model. The obtained results are in a favorable agreement with available experimental and theoretical data.", 
    "genre": "research_article", 
    "id": "sg:pub.10.1007/s10751-018-1544-9", 
    "inLanguage": [
      "en"
    ], 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1038685", 
        "issn": [
          "0304-3843", 
          "1572-9540"
        ], 
        "name": "Hyperfine Interactions", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "1", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "240"
      }
    ], 
    "name": "First-principles study of structural, elastic, electronic, and thermal properties of the ternary intermetallic GdTiGe and GdTiSi", 
    "pagination": "13", 
    "productId": [
      {
        "name": "readcube_id", 
        "type": "PropertyValue", 
        "value": [
          "797700556cbba71964c6df742c2cc0cbf040ec69ed6d396acc4b8bca0d3c05f3"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/s10751-018-1544-9"
        ]
      }, 
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1111753380"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/s10751-018-1544-9", 
      "https://app.dimensions.ai/details/publication/pub.1111753380"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2019-04-11T08:58", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-uberresearch-data-dimensions-target-20181106-alternative/cleanup/v134/2549eaecd7973599484d7c17b260dba0a4ecb94b/merge/v9/a6c9fde33151104705d4d7ff012ea9563521a3ce/jats-lookup/v90/0000000326_0000000326/records_68463_00000000.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://link.springer.com/10.1007%2Fs10751-018-1544-9"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1007/s10751-018-1544-9'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1007/s10751-018-1544-9'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s10751-018-1544-9'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s10751-018-1544-9'


 

This table displays all metadata directly associated to this object as RDF triples.

135 TRIPLES      21 PREDICATES      42 URIs      19 LITERALS      7 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/s10751-018-1544-9 schema:about anzsrc-for:09
2 anzsrc-for:0912
3 schema:author N4f27428623924ca68134d2ced5849066
4 schema:citation https://doi.org/10.1016/j.commatsci.2006.10.003
5 https://doi.org/10.1016/j.comphy.2003.12.001
6 https://doi.org/10.1016/j.jallcom.2004.03.132
7 https://doi.org/10.1016/j.mseb.2006.02.066
8 https://doi.org/10.1016/j.ssc.2009.09.028
9 https://doi.org/10.1016/s0925-8388(98)00904-9
10 https://doi.org/10.1016/s0925-8388(98)00960-8
11 https://doi.org/10.1016/s0925-8388(99)00037-7
12 https://doi.org/10.1016/s0925-8388(99)00583-6
13 https://doi.org/10.1080/14786440808520496
14 https://doi.org/10.1088/0953-8984/13/29/309
15 https://doi.org/10.1103/physrevb.41.10311
16 https://doi.org/10.1103/physrevlett.71.4182
17 https://doi.org/10.1103/physrevlett.77.3865
18 https://doi.org/10.1111/j.1151-2916.1988.tb05022.x
19 schema:datePublished 2019-06
20 schema:datePublishedReg 2019-06-01
21 schema:description The full-potential linearized augmented plane wave (FP-LAPW) method using the generalized-gradient approximation (GGA) and the local density approximation (LDA) within the framework of density functional theory (DFT) is applied to the study of structural, elastic, electronic and thermal properties of CeScSi-type GdTiGe and CeFeSi-type GdTiSi intermetallic compounds. Elastic constants are calculated to investigate stability criteria and the mechanical nature of the studied materials. Both compounds are found to be mechanically anisotropic, and ductile, and meet the elastic stability criteria. To complete the fundamental characteristics of both compounds, we have analyzed the thermodynamic properties using the quasi-harmonic Debye model. The obtained results are in a favorable agreement with available experimental and theoretical data.
22 schema:genre research_article
23 schema:inLanguage en
24 schema:isAccessibleForFree false
25 schema:isPartOf Nc1771479d611472f95d8274b23c793be
26 Ne930fac318da4a28afc46be02c0fc567
27 sg:journal.1038685
28 schema:name First-principles study of structural, elastic, electronic, and thermal properties of the ternary intermetallic GdTiGe and GdTiSi
29 schema:pagination 13
30 schema:productId N770c1195fd4244bfb2a24be3e8701825
31 Na1fd9eefa0f14ed18ffe00e587937e88
32 Nf5b656d22e494066983d146059ecd4c6
33 schema:sameAs https://app.dimensions.ai/details/publication/pub.1111753380
34 https://doi.org/10.1007/s10751-018-1544-9
35 schema:sdDatePublished 2019-04-11T08:58
36 schema:sdLicense https://scigraph.springernature.com/explorer/license/
37 schema:sdPublisher N97f7e51ea52845c287ea7b17d111e18e
38 schema:url https://link.springer.com/10.1007%2Fs10751-018-1544-9
39 sgo:license sg:explorer/license/
40 sgo:sdDataset articles
41 rdf:type schema:ScholarlyArticle
42 N210f462dae414fa1a9512b0d1169d9b0 schema:name Structure, Elaboration and Applications of Molecular Materials (SEA2M), Exact Sciences and Computer Sciences Faculty, University of Abdelhamid Ibn Badis, 27000, Mostaganem, Algeria
43 rdf:type schema:Organization
44 N4f27428623924ca68134d2ced5849066 rdf:first Nde85dba84f914428a25fce128098e674
45 rdf:rest N4f8e8245b9ed4473b0ccb5933ff6682a
46 N4f8e8245b9ed4473b0ccb5933ff6682a rdf:first N6e0f300e74864929905f6552db4be2c2
47 rdf:rest N8b117b46c78f444ba6e1e14453bf067b
48 N55f8fe2c528c4199bc88f8243d5bba6c schema:affiliation Nc1b65092123949909af879c95bd14ed2
49 schema:familyName Abbassa
50 schema:givenName H.
51 rdf:type schema:Person
52 N6e0f300e74864929905f6552db4be2c2 schema:affiliation https://www.grid.ac/institutes/grid.442529.c
53 schema:familyName Abbar
54 schema:givenName B.
55 rdf:type schema:Person
56 N770c1195fd4244bfb2a24be3e8701825 schema:name readcube_id
57 schema:value 797700556cbba71964c6df742c2cc0cbf040ec69ed6d396acc4b8bca0d3c05f3
58 rdf:type schema:PropertyValue
59 N7f4a4fd1114b47b1af47eb6a8892c41e rdf:first Nbbd91116b0e547e4bc0090d78cba1ef0
60 rdf:rest rdf:nil
61 N8b117b46c78f444ba6e1e14453bf067b rdf:first N931c0a6b67474e39bac7a4a159e8f552
62 rdf:rest Na939c94a7a5a4e1b9ce36184a6180050
63 N931c0a6b67474e39bac7a4a159e8f552 schema:affiliation N210f462dae414fa1a9512b0d1169d9b0
64 schema:familyName Meghoufel
65 schema:givenName Z. F.
66 rdf:type schema:Person
67 N97f7e51ea52845c287ea7b17d111e18e schema:name Springer Nature - SN SciGraph project
68 rdf:type schema:Organization
69 Na1fd9eefa0f14ed18ffe00e587937e88 schema:name dimensions_id
70 schema:value pub.1111753380
71 rdf:type schema:PropertyValue
72 Na939c94a7a5a4e1b9ce36184a6180050 rdf:first N55f8fe2c528c4199bc88f8243d5bba6c
73 rdf:rest N7f4a4fd1114b47b1af47eb6a8892c41e
74 Nbbd91116b0e547e4bc0090d78cba1ef0 schema:affiliation Ne75ced660a6d4524a8cadfeca0ca0f6d
75 schema:familyName Benatia
76 schema:givenName M. Benkadour
77 rdf:type schema:Person
78 Nc1771479d611472f95d8274b23c793be schema:issueNumber 1
79 rdf:type schema:PublicationIssue
80 Nc1b65092123949909af879c95bd14ed2 schema:name Laboratory of Exact Sciences and Computer Sciences Faculty, University of Abdelhamid Ibn Badis, 27000, Mostaganem, Algeria
81 rdf:type schema:Organization
82 Nde85dba84f914428a25fce128098e674 schema:affiliation https://www.grid.ac/institutes/grid.442529.c
83 schema:familyName Akel
84 schema:givenName O.
85 rdf:type schema:Person
86 Ne75ced660a6d4524a8cadfeca0ca0f6d schema:name Structure, Elaboration and Applications of Molecular Materials (SEA2M), Exact Sciences and Computer Sciences Faculty, University of Abdelhamid Ibn Badis, 27000, Mostaganem, Algeria
87 rdf:type schema:Organization
88 Ne930fac318da4a28afc46be02c0fc567 schema:volumeNumber 240
89 rdf:type schema:PublicationVolume
90 Nf5b656d22e494066983d146059ecd4c6 schema:name doi
91 schema:value 10.1007/s10751-018-1544-9
92 rdf:type schema:PropertyValue
93 anzsrc-for:09 schema:inDefinedTermSet anzsrc-for:
94 schema:name Engineering
95 rdf:type schema:DefinedTerm
96 anzsrc-for:0912 schema:inDefinedTermSet anzsrc-for:
97 schema:name Materials Engineering
98 rdf:type schema:DefinedTerm
99 sg:journal.1038685 schema:issn 0304-3843
100 1572-9540
101 schema:name Hyperfine Interactions
102 rdf:type schema:Periodical
103 https://doi.org/10.1016/j.commatsci.2006.10.003 schema:sameAs https://app.dimensions.ai/details/publication/pub.1048795526
104 rdf:type schema:CreativeWork
105 https://doi.org/10.1016/j.comphy.2003.12.001 schema:sameAs https://app.dimensions.ai/details/publication/pub.1008107338
106 rdf:type schema:CreativeWork
107 https://doi.org/10.1016/j.jallcom.2004.03.132 schema:sameAs https://app.dimensions.ai/details/publication/pub.1046792228
108 rdf:type schema:CreativeWork
109 https://doi.org/10.1016/j.mseb.2006.02.066 schema:sameAs https://app.dimensions.ai/details/publication/pub.1017276571
110 rdf:type schema:CreativeWork
111 https://doi.org/10.1016/j.ssc.2009.09.028 schema:sameAs https://app.dimensions.ai/details/publication/pub.1013053713
112 rdf:type schema:CreativeWork
113 https://doi.org/10.1016/s0925-8388(98)00904-9 schema:sameAs https://app.dimensions.ai/details/publication/pub.1014524626
114 rdf:type schema:CreativeWork
115 https://doi.org/10.1016/s0925-8388(98)00960-8 schema:sameAs https://app.dimensions.ai/details/publication/pub.1017195313
116 rdf:type schema:CreativeWork
117 https://doi.org/10.1016/s0925-8388(99)00037-7 schema:sameAs https://app.dimensions.ai/details/publication/pub.1028137352
118 rdf:type schema:CreativeWork
119 https://doi.org/10.1016/s0925-8388(99)00583-6 schema:sameAs https://app.dimensions.ai/details/publication/pub.1008465649
120 rdf:type schema:CreativeWork
121 https://doi.org/10.1080/14786440808520496 schema:sameAs https://app.dimensions.ai/details/publication/pub.1012076321
122 rdf:type schema:CreativeWork
123 https://doi.org/10.1088/0953-8984/13/29/309 schema:sameAs https://app.dimensions.ai/details/publication/pub.1009622270
124 rdf:type schema:CreativeWork
125 https://doi.org/10.1103/physrevb.41.10311 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060552946
126 rdf:type schema:CreativeWork
127 https://doi.org/10.1103/physrevlett.71.4182 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060808219
128 rdf:type schema:CreativeWork
129 https://doi.org/10.1103/physrevlett.77.3865 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060814179
130 rdf:type schema:CreativeWork
131 https://doi.org/10.1111/j.1151-2916.1988.tb05022.x schema:sameAs https://app.dimensions.ai/details/publication/pub.1021981966
132 rdf:type schema:CreativeWork
133 https://www.grid.ac/institutes/grid.442529.c schema:alternateName Université Djillali Liabes
134 schema:name Modeling and Simulation in Materials Science Laboratory, Djillali Liabès University, 22000, Sidi Bel-Abbes, Algeria
135 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...