Volume dependence of the A1g phonons in YBa2Cu3O7 View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1997-12

AUTHORS

Robert Kouba, Claudia Ambrosch-Draxl

ABSTRACT

By employing first-principles frozen-phonon calculations we have determined the force-free geometry and the dynamical matrix for the five Raman-active A1g modes in a volume-reduced YBa2Cu3O7 crystal. By this mean we investigate the relation between the effect of overbinding caused by the local density approximation and the vibronic properties of this material. This procedure reveals noticeably improved phonon frequencies in comparison to the theoretical results obtained for the measured lattice constants. More... »

PAGES

777-778

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s002570050526

DOI

http://dx.doi.org/10.1007/s002570050526

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1002920409


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/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0306", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Physical Chemistry (incl. Structural)", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Institut f\u00fcr Theoretische Physik, Universit\u00e4t Graz, Universit\u00e4tsplatz 5, A-8010, Graz, Austria", 
          "id": "http://www.grid.ac/institutes/grid.5110.5", 
          "name": [
            "Institut f\u00fcr Theoretische Physik, Universit\u00e4t Graz, Universit\u00e4tsplatz 5, A-8010, Graz, Austria"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Kouba", 
        "givenName": "Robert", 
        "id": "sg:person.015661520217.81", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015661520217.81"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institut f\u00fcr Theoretische Physik, Universit\u00e4t Graz, Universit\u00e4tsplatz 5, A-8010, Graz, Austria", 
          "id": "http://www.grid.ac/institutes/grid.5110.5", 
          "name": [
            "Institut f\u00fcr Theoretische Physik, Universit\u00e4t Graz, Universit\u00e4tsplatz 5, A-8010, Graz, Austria"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Ambrosch-Draxl", 
        "givenName": "Claudia", 
        "id": "sg:person.01265110115.97", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01265110115.97"
        ], 
        "type": "Person"
      }
    ], 
    "datePublished": "1997-12", 
    "datePublishedReg": "1997-12-01", 
    "description": "By employing first-principles frozen-phonon calculations we have determined the force-free geometry and the dynamical matrix for the five Raman-active A1g modes in a volume-reduced YBa2Cu3O7 crystal. By this mean we investigate the relation between the effect of overbinding caused by the local density approximation and the vibronic properties of this material. This procedure reveals noticeably improved phonon frequencies in comparison to the theoretical results obtained for the measured lattice constants.", 
    "genre": "article", 
    "id": "sg:pub.10.1007/s002570050526", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1285002", 
        "issn": [
          "0722-3277", 
          "1431-584X"
        ], 
        "name": "Zeitschrift f\u00fcr Physik B Condensed Matter", 
        "publisher": "Springer Nature", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "4", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "104"
      }
    ], 
    "keywords": [
      "first-principles frozen-phonon calculations", 
      "frozen phonon calculations", 
      "dynamical matrix", 
      "local density approximation", 
      "YBa2Cu3O7 crystals", 
      "theoretical results", 
      "density approximation", 
      "Raman active A1", 
      "phonon frequencies", 
      "vibronic properties", 
      "lattice constants", 
      "volume dependence", 
      "approximation", 
      "YBa2Cu3O7", 
      "geometry", 
      "phonons", 
      "calculations", 
      "matrix", 
      "dependence", 
      "overbinding", 
      "properties", 
      "constants", 
      "crystals", 
      "means", 
      "mode", 
      "frequency", 
      "procedure", 
      "results", 
      "comparison", 
      "relation", 
      "materials", 
      "effect", 
      "A1"
    ], 
    "name": "Volume dependence of the A1g phonons in YBa2Cu3O7", 
    "pagination": "777-778", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1002920409"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/s002570050526"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/s002570050526", 
      "https://app.dimensions.ai/details/publication/pub.1002920409"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-06-01T22:01", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220601/entities/gbq_results/article/article_278.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1007/s002570050526"
  }
]
 

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/s002570050526'

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/s002570050526'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s002570050526'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s002570050526'


 

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

98 TRIPLES      21 PREDICATES      59 URIs      51 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/s002570050526 schema:about anzsrc-for:03
2 anzsrc-for:0306
3 schema:author Nd62b86d353804f43b95c25afd4da16af
4 schema:datePublished 1997-12
5 schema:datePublishedReg 1997-12-01
6 schema:description By employing first-principles frozen-phonon calculations we have determined the force-free geometry and the dynamical matrix for the five Raman-active A1g modes in a volume-reduced YBa2Cu3O7 crystal. By this mean we investigate the relation between the effect of overbinding caused by the local density approximation and the vibronic properties of this material. This procedure reveals noticeably improved phonon frequencies in comparison to the theoretical results obtained for the measured lattice constants.
7 schema:genre article
8 schema:inLanguage en
9 schema:isAccessibleForFree false
10 schema:isPartOf N48f9e61acb3043f6afd7e46ab949c711
11 Nb6cf2d1244e14be58209150c8af17fce
12 sg:journal.1285002
13 schema:keywords A1
14 Raman active A1
15 YBa2Cu3O7
16 YBa2Cu3O7 crystals
17 approximation
18 calculations
19 comparison
20 constants
21 crystals
22 density approximation
23 dependence
24 dynamical matrix
25 effect
26 first-principles frozen-phonon calculations
27 frequency
28 frozen phonon calculations
29 geometry
30 lattice constants
31 local density approximation
32 materials
33 matrix
34 means
35 mode
36 overbinding
37 phonon frequencies
38 phonons
39 procedure
40 properties
41 relation
42 results
43 theoretical results
44 vibronic properties
45 volume dependence
46 schema:name Volume dependence of the A1g phonons in YBa2Cu3O7
47 schema:pagination 777-778
48 schema:productId N3fe99a072fc3485a80afe866d9341e11
49 N4ecc2cfc1b2e467ab7fbc4a0aa2ad29e
50 schema:sameAs https://app.dimensions.ai/details/publication/pub.1002920409
51 https://doi.org/10.1007/s002570050526
52 schema:sdDatePublished 2022-06-01T22:01
53 schema:sdLicense https://scigraph.springernature.com/explorer/license/
54 schema:sdPublisher N8ffbc2f6bba94717a6d6cec651fae0f2
55 schema:url https://doi.org/10.1007/s002570050526
56 sgo:license sg:explorer/license/
57 sgo:sdDataset articles
58 rdf:type schema:ScholarlyArticle
59 N3fe99a072fc3485a80afe866d9341e11 schema:name dimensions_id
60 schema:value pub.1002920409
61 rdf:type schema:PropertyValue
62 N48f9e61acb3043f6afd7e46ab949c711 schema:issueNumber 4
63 rdf:type schema:PublicationIssue
64 N4ecc2cfc1b2e467ab7fbc4a0aa2ad29e schema:name doi
65 schema:value 10.1007/s002570050526
66 rdf:type schema:PropertyValue
67 N8ffbc2f6bba94717a6d6cec651fae0f2 schema:name Springer Nature - SN SciGraph project
68 rdf:type schema:Organization
69 Naf3fb1f1d66a44b3a99760868b4a108e rdf:first sg:person.01265110115.97
70 rdf:rest rdf:nil
71 Nb6cf2d1244e14be58209150c8af17fce schema:volumeNumber 104
72 rdf:type schema:PublicationVolume
73 Nd62b86d353804f43b95c25afd4da16af rdf:first sg:person.015661520217.81
74 rdf:rest Naf3fb1f1d66a44b3a99760868b4a108e
75 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
76 schema:name Chemical Sciences
77 rdf:type schema:DefinedTerm
78 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
79 schema:name Physical Chemistry (incl. Structural)
80 rdf:type schema:DefinedTerm
81 sg:journal.1285002 schema:issn 0722-3277
82 1431-584X
83 schema:name Zeitschrift für Physik B Condensed Matter
84 schema:publisher Springer Nature
85 rdf:type schema:Periodical
86 sg:person.01265110115.97 schema:affiliation grid-institutes:grid.5110.5
87 schema:familyName Ambrosch-Draxl
88 schema:givenName Claudia
89 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01265110115.97
90 rdf:type schema:Person
91 sg:person.015661520217.81 schema:affiliation grid-institutes:grid.5110.5
92 schema:familyName Kouba
93 schema:givenName Robert
94 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015661520217.81
95 rdf:type schema:Person
96 grid-institutes:grid.5110.5 schema:alternateName Institut für Theoretische Physik, Universität Graz, Universitätsplatz 5, A-8010, Graz, Austria
97 schema:name Institut für Theoretische Physik, Universität Graz, Universitätsplatz 5, A-8010, Graz, Austria
98 rdf:type schema:Organization
 




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


...