Ab initio Determination of Structural and Dynamical Properties of Mg2Sn

Ab initio Determination of Structural and Dynamical Properties of Mg2Sn

We have studied structural and dynamical properties of Mg2Sn by employing an ab-initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. The calculated lattice constant, bulk modulus and pressure derivative of bulk modulus are in agreement with previ...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:AIP conference proceedings 2007-01, Vol.899 (1), p.247-248
Hauptverfasser: Duman, S, Tutuncu, H M, Bagci, S, Srivastava, G P
Format: Artikel
Sprache:eng
Schlagworte:
APPROXIMATIONS
CRYSTAL STRUCTURE
INELASTIC SCATTERING
LATTICE PARAMETERS
MAGNESIUM ALLOYS
MATERIALS SCIENCE
NEUTRON DIFFRACTION
NEUTRON REACTIONS
PHONONS
POTENTIALS
SEMICONDUCTOR MATERIALS
SYMMETRY
TIN ALLOYS
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 248
container_issue 1
container_start_page 247
container_title AIP conference proceedings
container_volume 899
creator Duman, S
Tutuncu, H M
Bagci, S
Srivastava, G P
description We have studied structural and dynamical properties of Mg2Sn by employing an ab-initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. The calculated lattice constant, bulk modulus and pressure derivative of bulk modulus are in agreement with previous ab-initio calculations and available experimental results. The calculated phonon spectra are in good agreement with inelastic neutron scattering measurements along the main symmetry directions.
doi_str_mv 10.1063/1.2733129
format Article
fullrecord <record><control><sourceid>proquest_osti_</sourceid><recordid>TN_cdi_osti_scitechconnect_21057142</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>29824904</sourcerecordid><originalsourceid>FETCH-LOGICAL-o144t-47876f5335e477a205462cd1fc69d2feec06754a22c059dbe8ecefe04717dca33</originalsourceid><addsrcrecordid>eNotjM1KAzEYRYM_YK1d-AYDgrupX_4ny1K1ChWFKrgb0sw3GpkmdZJZ-PaOVO7icOBwCbmkMKeg-A2dM805ZeaITKiUtNSKqmMyM7oCzaWAcfKETACMKJng72fkPKUvAGa0riZktdgWPvjsY3GLGfudD3aUUMS22OR-cHnobVfY0BS3P8HuvBvtpY977LPH9Jc9fbBNuCCnre0Szv45JW_3d6_Lh3L9vHpcLtZlpELkUuhKq1ZyLlFobRlIoZhraOuUaViL6EBpKSxjDqRptlihwxZBaKobZzmfkqvDb0zZ18n5jO7TxRDQ5ZpRkJoKNlbXh2rfx-8BU653PjnsOhswDqlmpmLCgOC_NtFcTg</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>29824904</pqid></control><display><type>article</type><title>Ab initio Determination of Structural and Dynamical Properties of Mg2Sn</title><source>AIP Journals Complete</source><creator>Duman, S ; Tutuncu, H M ; Bagci, S ; Srivastava, G P</creator><creatorcontrib>Duman, S ; Tutuncu, H M ; Bagci, S ; Srivastava, G P</creatorcontrib><description>We have studied structural and dynamical properties of Mg2Sn by employing an ab-initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. The calculated lattice constant, bulk modulus and pressure derivative of bulk modulus are in agreement with previous ab-initio calculations and available experimental results. The calculated phonon spectra are in good agreement with inelastic neutron scattering measurements along the main symmetry directions.</description><identifier>ISSN: 0094-243X</identifier><identifier>ISBN: 9780735404045</identifier><identifier>ISBN: 0735404046</identifier><identifier>EISSN: 1551-7616</identifier><identifier>DOI: 10.1063/1.2733129</identifier><language>eng</language><publisher>United States</publisher><subject>APPROXIMATIONS ; CRYSTAL STRUCTURE ; INELASTIC SCATTERING ; LATTICE PARAMETERS ; MAGNESIUM ALLOYS ; MATERIALS SCIENCE ; NEUTRON DIFFRACTION ; NEUTRON REACTIONS ; PHONONS ; POTENTIALS ; SEMICONDUCTOR MATERIALS ; SYMMETRY ; TIN ALLOYS</subject><ispartof>AIP conference proceedings, 2007-01, Vol.899 (1), p.247-248</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27922,27923</link.rule.ids><backlink>$$Uhttps://www.osti.gov/biblio/21057142$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Duman, S</creatorcontrib><creatorcontrib>Tutuncu, H M</creatorcontrib><creatorcontrib>Bagci, S</creatorcontrib><creatorcontrib>Srivastava, G P</creatorcontrib><title>Ab initio Determination of Structural and Dynamical Properties of Mg2Sn</title><title>AIP conference proceedings</title><description>We have studied structural and dynamical properties of Mg2Sn by employing an ab-initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. The calculated lattice constant, bulk modulus and pressure derivative of bulk modulus are in agreement with previous ab-initio calculations and available experimental results. The calculated phonon spectra are in good agreement with inelastic neutron scattering measurements along the main symmetry directions.</description><subject>APPROXIMATIONS</subject><subject>CRYSTAL STRUCTURE</subject><subject>INELASTIC SCATTERING</subject><subject>LATTICE PARAMETERS</subject><subject>MAGNESIUM ALLOYS</subject><subject>MATERIALS SCIENCE</subject><subject>NEUTRON DIFFRACTION</subject><subject>NEUTRON REACTIONS</subject><subject>PHONONS</subject><subject>POTENTIALS</subject><subject>SEMICONDUCTOR MATERIALS</subject><subject>SYMMETRY</subject><subject>TIN ALLOYS</subject><issn>0094-243X</issn><issn>1551-7616</issn><isbn>9780735404045</isbn><isbn>0735404046</isbn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2007</creationdate><recordtype>article</recordtype><recordid>eNotjM1KAzEYRYM_YK1d-AYDgrupX_4ny1K1ChWFKrgb0sw3GpkmdZJZ-PaOVO7icOBwCbmkMKeg-A2dM805ZeaITKiUtNSKqmMyM7oCzaWAcfKETACMKJng72fkPKUvAGa0riZktdgWPvjsY3GLGfudD3aUUMS22OR-cHnobVfY0BS3P8HuvBvtpY977LPH9Jc9fbBNuCCnre0Szv45JW_3d6_Lh3L9vHpcLtZlpELkUuhKq1ZyLlFobRlIoZhraOuUaViL6EBpKSxjDqRptlihwxZBaKobZzmfkqvDb0zZ18n5jO7TxRDQ5ZpRkJoKNlbXh2rfx-8BU653PjnsOhswDqlmpmLCgOC_NtFcTg</recordid><startdate>20070101</startdate><enddate>20070101</enddate><creator>Duman, S</creator><creator>Tutuncu, H M</creator><creator>Bagci, S</creator><creator>Srivastava, G P</creator><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope><scope>OTOTI</scope></search><sort><creationdate>20070101</creationdate><title>Ab initio Determination of Structural and Dynamical Properties of Mg2Sn</title><author>Duman, S ; Tutuncu, H M ; Bagci, S ; Srivastava, G P</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-o144t-47876f5335e477a205462cd1fc69d2feec06754a22c059dbe8ecefe04717dca33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2007</creationdate><topic>APPROXIMATIONS</topic><topic>CRYSTAL STRUCTURE</topic><topic>INELASTIC SCATTERING</topic><topic>LATTICE PARAMETERS</topic><topic>MAGNESIUM ALLOYS</topic><topic>MATERIALS SCIENCE</topic><topic>NEUTRON DIFFRACTION</topic><topic>NEUTRON REACTIONS</topic><topic>PHONONS</topic><topic>POTENTIALS</topic><topic>SEMICONDUCTOR MATERIALS</topic><topic>SYMMETRY</topic><topic>TIN ALLOYS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Duman, S</creatorcontrib><creatorcontrib>Tutuncu, H M</creatorcontrib><creatorcontrib>Bagci, S</creatorcontrib><creatorcontrib>Srivastava, G P</creatorcontrib><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>OSTI.GOV</collection><jtitle>AIP conference proceedings</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Duman, S</au><au>Tutuncu, H M</au><au>Bagci, S</au><au>Srivastava, G P</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Ab initio Determination of Structural and Dynamical Properties of Mg2Sn</atitle><jtitle>AIP conference proceedings</jtitle><date>2007-01-01</date><risdate>2007</risdate><volume>899</volume><issue>1</issue><spage>247</spage><epage>248</epage><pages>247-248</pages><issn>0094-243X</issn><eissn>1551-7616</eissn><isbn>9780735404045</isbn><isbn>0735404046</isbn><abstract>We have studied structural and dynamical properties of Mg2Sn by employing an ab-initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. The calculated lattice constant, bulk modulus and pressure derivative of bulk modulus are in agreement with previous ab-initio calculations and available experimental results. The calculated phonon spectra are in good agreement with inelastic neutron scattering measurements along the main symmetry directions.</abstract><cop>United States</cop><doi>10.1063/1.2733129</doi><tpages>2</tpages></addata></record>
fulltext fulltext
identifier ISSN: 0094-243X
ispartof AIP conference proceedings, 2007-01, Vol.899 (1), p.247-248
issn 0094-243X
1551-7616
language eng
recordid cdi_osti_scitechconnect_21057142
source AIP Journals Complete
subjects APPROXIMATIONS
CRYSTAL STRUCTURE
INELASTIC SCATTERING
LATTICE PARAMETERS
MAGNESIUM ALLOYS
MATERIALS SCIENCE
NEUTRON DIFFRACTION
NEUTRON REACTIONS
PHONONS
POTENTIALS
SEMICONDUCTOR MATERIALS
SYMMETRY
TIN ALLOYS
title Ab initio Determination of Structural and Dynamical Properties of Mg2Sn
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-09T23%3A37%3A34IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_osti_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Ab%20initio%20Determination%20of%20Structural%20and%20Dynamical%20Properties%20of%20Mg2Sn&rft.jtitle=AIP%20conference%20proceedings&rft.au=Duman,%20S&rft.date=2007-01-01&rft.volume=899&rft.issue=1&rft.spage=247&rft.epage=248&rft.pages=247-248&rft.issn=0094-243X&rft.eissn=1551-7616&rft.isbn=9780735404045&rft.isbn_list=0735404046&rft_id=info:doi/10.1063/1.2733129&rft_dat=%3Cproquest_osti_%3E29824904%3C/proquest_osti_%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=29824904&rft_id=info:pmid/&rfr_iscdi=true