Calculated phonon spectra of paramagnetic iron at the α - γ phase transition
We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability of paramagnetic iron in the bcc phase. Our results for the s...
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| Veröffentlicht in: | Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2012-01, Vol.85 (2), p.020401-020401, Article 020401 |
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| container_title | Physical review. B, Condensed matter and materials physics |
| container_volume | 85 |
| creator | Leonov, I. Poteryaev, A. I. Anisimov, V. I. Vollhardt, D. |
| description | We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability of paramagnetic iron in the bcc phase. Our results for the structural phase stability and lattice dynamical properties of iron are in good agreement with experiment. |
| doi_str_mv | 10.1103/PhysRevB.85.020401 |
| format | Article |
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B, Condensed matter and materials physics</title><description>We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability of paramagnetic iron in the bcc phase. Our results for the structural phase stability and lattice dynamical properties of iron are in good agreement with experiment.</description><subject>Condensed matter</subject><subject>Correlation</subject><subject>Electronics</subject><subject>Iron</subject><subject>Lattices</subject><subject>Mathematical analysis</subject><subject>Phase stability</subject><subject>Phase transformations</subject><subject>Spectra</subject><issn>1098-0121</issn><issn>1550-235X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><recordid>eNo1kE1OwzAQhS0EEqVwAVZeskkZO3bjLKHiT6oAIZDYWVNnTIPSJNguUo-FuEfPRFBhNU-a773Fx9ipgIkQkJ8_LjfxiT4vJ0ZPQIICscdGQmvIZK5f94cMpclASHHIjmJ8BxCqVHLE7mfYuHWDiSreL7u2a3nsyaWAvPO8x4ArfGsp1Y7XYXhi4mlJfPvFM779HioYiQ90G-tUd-0xO_DYRDr5u2P2cn31PLvN5g83d7OLeeakgZSVSogqh4I0qWmllUavjSbnRVGCLIrcqYVf4KKYelP5HLUjo5yCsjRoUE3zMTvb7fah-1hTTHZVR0dNgy1162jF1GgDxkg9oHKHutDFGMjbPtQrDBsrwP7Ks__yrNF2Jy__AW3sZZY</recordid><startdate>20120104</startdate><enddate>20120104</enddate><creator>Leonov, I.</creator><creator>Poteryaev, A. 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I. ; Vollhardt, D.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c280t-9411d307e5e46d545af585ecf17902773c4bfbab76f8df3a5ce84c40998a8a463</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2012</creationdate><topic>Condensed matter</topic><topic>Correlation</topic><topic>Electronics</topic><topic>Iron</topic><topic>Lattices</topic><topic>Mathematical analysis</topic><topic>Phase stability</topic><topic>Phase transformations</topic><topic>Spectra</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Leonov, I.</creatorcontrib><creatorcontrib>Poteryaev, A. I.</creatorcontrib><creatorcontrib>Anisimov, V. 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B, Condensed matter and materials physics</jtitle><date>2012-01-04</date><risdate>2012</risdate><volume>85</volume><issue>2</issue><spage>020401</spage><epage>020401</epage><pages>020401-020401</pages><artnum>020401</artnum><issn>1098-0121</issn><eissn>1550-235X</eissn><abstract>We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability of paramagnetic iron in the bcc phase. Our results for the structural phase stability and lattice dynamical properties of iron are in good agreement with experiment.</abstract><doi>10.1103/PhysRevB.85.020401</doi><tpages>1</tpages></addata></record> |
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| identifier | ISSN: 1098-0121 |
| ispartof | Physical review. B, Condensed matter and materials physics, 2012-01, Vol.85 (2), p.020401-020401, Article 020401 |
| issn | 1098-0121 1550-235X |
| language | eng |
| recordid | cdi_proquest_miscellaneous_1685808825 |
| source | American Physical Society Journals |
| subjects | Condensed matter Correlation Electronics Iron Lattices Mathematical analysis Phase stability Phase transformations Spectra |
| title | Calculated phonon spectra of paramagnetic iron at the α - γ phase transition |
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