Structure dependent phonon properties of LaMnO3
We have reported the results of our theoretical investigations on the vibrational properties of LaMnO3 in its cubic structure by using lattice dynamical simulation method based on the rigid ion model to understand the role of phonons in these systems. The calculated zone centre frequencies agree rea...
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| Veröffentlicht in: | Computational materials science 2006-08, Vol.37 (1-2), p.64-68 |
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| creator | TALATI, Mina JHA, Prafulla K |
| description | We have reported the results of our theoretical investigations on the vibrational properties of LaMnO3 in its cubic structure by using lattice dynamical simulation method based on the rigid ion model to understand the role of phonons in these systems. The calculated zone centre frequencies agree reasonably well with the available data. The phonon dispersion curves, phonon density of states and lattice specific heat are also reported for the cubic LaMnO3. We also report the phonon properties for LaMnO3 in its rhombohedral structure and compare them with the cubic phase phonon properties. The phonon properties are different in these two phases of LaMnO3 compound. The shift in peak position and appearance of new peaks are also observed in phonon density of states. The low temperature specific heat is different due to the difference in the behaviour of lower frequency phonon modes. |
| doi_str_mv | 10.1016/j.commatsci.2005.12.026 |
| format | Article |
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The calculated zone centre frequencies agree reasonably well with the available data. The phonon dispersion curves, phonon density of states and lattice specific heat are also reported for the cubic LaMnO3. We also report the phonon properties for LaMnO3 in its rhombohedral structure and compare them with the cubic phase phonon properties. The phonon properties are different in these two phases of LaMnO3 compound. The shift in peak position and appearance of new peaks are also observed in phonon density of states. The low temperature specific heat is different due to the difference in the behaviour of lower frequency phonon modes.</description><identifier>ISSN: 0927-0256</identifier><identifier>EISSN: 1879-0801</identifier><identifier>DOI: 10.1016/j.commatsci.2005.12.026</identifier><language>eng</language><publisher>Amsterdam: Elsevier Science</publisher><subject>Colossal magnetoresistance ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Condensed matter: structure, mechanical and thermal properties ; Exact sciences and technology ; Lattice dynamics ; Magnetic properties and materials ; Magnetotransport phenomena, materials for magnetotransport ; Manganites ; Phonon states and bands, normal modes, and phonon dispersion ; Phonons and vibrations in crystal lattices ; Physics</subject><ispartof>Computational materials science, 2006-08, Vol.37 (1-2), p.64-68</ispartof><rights>2006 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c318t-53476988581e03380def52e5d177e2e139341436eeae9c90d3e968e3c57889173</citedby><cites>FETCH-LOGICAL-c318t-53476988581e03380def52e5d177e2e139341436eeae9c90d3e968e3c57889173</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>309,310,314,776,780,785,786,23909,23910,25118,27901,27902</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=17958965$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>TALATI, Mina</creatorcontrib><creatorcontrib>JHA, Prafulla K</creatorcontrib><title>Structure dependent phonon properties of LaMnO3</title><title>Computational materials science</title><description>We have reported the results of our theoretical investigations on the vibrational properties of LaMnO3 in its cubic structure by using lattice dynamical simulation method based on the rigid ion model to understand the role of phonons in these systems. The calculated zone centre frequencies agree reasonably well with the available data. The phonon dispersion curves, phonon density of states and lattice specific heat are also reported for the cubic LaMnO3. We also report the phonon properties for LaMnO3 in its rhombohedral structure and compare them with the cubic phase phonon properties. The phonon properties are different in these two phases of LaMnO3 compound. The shift in peak position and appearance of new peaks are also observed in phonon density of states. The low temperature specific heat is different due to the difference in the behaviour of lower frequency phonon modes.</description><subject>Colossal magnetoresistance</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Exact sciences and technology</subject><subject>Lattice dynamics</subject><subject>Magnetic properties and materials</subject><subject>Magnetotransport phenomena, materials for magnetotransport</subject><subject>Manganites</subject><subject>Phonon states and bands, normal modes, and phonon dispersion</subject><subject>Phonons and vibrations in crystal lattices</subject><subject>Physics</subject><issn>0927-0256</issn><issn>1879-0801</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2006</creationdate><recordtype>article</recordtype><recordid>eNpFkD1PwzAURS0EEqXwG8gCW9JnO47tEVV8SUEdgNmynBeRKnGC7Qz8e1K1gukt99z7dAi5pVBQoNVmX7hxGGyKrisYgCgoK4BVZ2RFldQ5KKDnZAWayRyYqC7JVYx7WEit2Ips3lOYXZoDZg1O6Bv0KZu-Rj_6bArjhCF1GLOxzWr75nf8mly0to94c7pr8vn0-LF9yevd8-v2oc4dpyrlgpdyGVBCUQTOFTTYCoaioVIiQ8o1L2nJK0SL2mloOOpKIXdCKqWp5Gtyf-xdnvieMSYzdNFh31uP4xwN06UqGZRLUB6DLowxBmzNFLrBhh9DwRwEmb35E2QOggxlZhG0kHenCRud7dtgveviPy61ULoS_BcAdWfz</recordid><startdate>20060801</startdate><enddate>20060801</enddate><creator>TALATI, Mina</creator><creator>JHA, Prafulla K</creator><general>Elsevier Science</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SC</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>JQ2</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope></search><sort><creationdate>20060801</creationdate><title>Structure dependent phonon properties of LaMnO3</title><author>TALATI, Mina ; JHA, Prafulla K</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c318t-53476988581e03380def52e5d177e2e139341436eeae9c90d3e968e3c57889173</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2006</creationdate><topic>Colossal magnetoresistance</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Exact sciences and technology</topic><topic>Lattice dynamics</topic><topic>Magnetic properties and materials</topic><topic>Magnetotransport phenomena, materials for magnetotransport</topic><topic>Manganites</topic><topic>Phonon states and bands, normal modes, and phonon dispersion</topic><topic>Phonons and vibrations in crystal lattices</topic><topic>Physics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>TALATI, Mina</creatorcontrib><creatorcontrib>JHA, Prafulla K</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Computer and Information Systems Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Computer and Information Systems Abstracts Academic</collection><collection>Computer and Information Systems Abstracts Professional</collection><jtitle>Computational materials science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>TALATI, Mina</au><au>JHA, Prafulla K</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structure dependent phonon properties of LaMnO3</atitle><jtitle>Computational materials science</jtitle><date>2006-08-01</date><risdate>2006</risdate><volume>37</volume><issue>1-2</issue><spage>64</spage><epage>68</epage><pages>64-68</pages><issn>0927-0256</issn><eissn>1879-0801</eissn><abstract>We have reported the results of our theoretical investigations on the vibrational properties of LaMnO3 in its cubic structure by using lattice dynamical simulation method based on the rigid ion model to understand the role of phonons in these systems. The calculated zone centre frequencies agree reasonably well with the available data. The phonon dispersion curves, phonon density of states and lattice specific heat are also reported for the cubic LaMnO3. We also report the phonon properties for LaMnO3 in its rhombohedral structure and compare them with the cubic phase phonon properties. The phonon properties are different in these two phases of LaMnO3 compound. The shift in peak position and appearance of new peaks are also observed in phonon density of states. The low temperature specific heat is different due to the difference in the behaviour of lower frequency phonon modes.</abstract><cop>Amsterdam</cop><pub>Elsevier Science</pub><doi>10.1016/j.commatsci.2005.12.026</doi><tpages>5</tpages></addata></record> |
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| source | Elsevier ScienceDirect Journals |
| subjects | Colossal magnetoresistance Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Lattice dynamics Magnetic properties and materials Magnetotransport phenomena, materials for magnetotransport Manganites Phonon states and bands, normal modes, and phonon dispersion Phonons and vibrations in crystal lattices Physics |
| title | Structure dependent phonon properties of LaMnO3 |
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