Large spin-phonon coupling and magnetically induced phonon anisotropy in SrMO3 perovskites (M = V,Cr,Mn,Fe,Co)
- Author(s)
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Lee, JunHee, Rabe, Karin M.
- Issued Date
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2011-09
- DOI
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10.1103/PhysRevB.84.104440
- URI
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https://scholarworks.unist.ac.kr/handle/201301/18624
- Fulltext
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http://journals.aps.org/prb/abstract/10.1103/PhysRevB.84.104440
- Citation
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PHYSICAL REVIEW B, v.84, no.10, pp.104440
- Abstract
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First-principles calculations reveal large zone-center spin-phonon coupling and magnetically-driven phonon anisotropy in cubic perovskites SrMO3 (M = V,Cr,Mn,Fe,Co). In particular, the frequency and splitting of the polar Slater mode is found to depend strongly upon magnetic ordering. The coupling is parameterized in a crystalstructure-dependent Heisenberg model, and its main features seen to arise from the Goodenough-Kanamori rules. This coupling can be expected to produce distinct low-energy alternative phases, resulting in a rich variety of coupled magnetic, structural, and electronic phase transitions driven by temperature, stress, electric field, and cation substitution
- Publisher
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AMER PHYSICAL SOC
- ISSN
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2469-9950
- Keyword
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AUGMENTED-WAVE METHOD, DOUBLE EXCHANGE, STATE
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