Please use this identifier to cite or link to this item:
http://hdl.handle.net/10397/5843
DC Field | Value | Language |
---|---|---|
dc.contributor | Department of Applied Physics | - |
dc.creator | Deng, X | - |
dc.creator | Lu, W | - |
dc.creator | Wang, H | - |
dc.creator | Huang, H | - |
dc.creator | Dai, J | - |
dc.date.accessioned | 2014-12-11T08:27:38Z | - |
dc.date.available | 2014-12-11T08:27:38Z | - |
dc.identifier.issn | 0884-2914 | - |
dc.identifier.uri | http://hdl.handle.net/10397/5843 | - |
dc.language.iso | en | en_US |
dc.publisher | Cambridge University Press | en_US |
dc.rights | © Materials Research Society 2012 | en_US |
dc.rights | The following article "Deng, X., Lu, W., Wang, H., Huang, H., & Dai, J. (2012). Electronic, magnetic and dielectric properties of multiferroic MnTiO 3. Journal of Materials Research, 27(11), 1421-1429." is available at http://dx.doi.org/10.1557/jmr.2012.101 | en_US |
dc.subject | Antiferromagnetic materials | en_US |
dc.subject | Antiferromagnetism | en_US |
dc.subject | Density functional theory | en_US |
dc.subject | Electronic structure | en_US |
dc.subject | Ferroelectricity | en_US |
dc.subject | Magnetic moments | en_US |
dc.subject | Manganese | en_US |
dc.subject | Optical properties | en_US |
dc.subject | Polarization | en_US |
dc.title | Electronic, magnetic and dielectric properties of multiferroic MnTiO₃ | en_US |
dc.type | Journal/Magazine Article | en_US |
dc.identifier.spage | 1421 | - |
dc.identifier.epage | 1429 | - |
dc.identifier.volume | 27 | - |
dc.identifier.issue | 11 | - |
dc.identifier.doi | 10.1557/jmr.2012.101 | - |
dcterms.abstract | The ground-state structural, electronic, magnetic, optical and dielectric properties of MnTiO₃ are calculated using density functional theory within the generalized gradient approximation. The structure parameters obtained agree well with experimental results. The electronic structure results show that the G-type antiferromagnetic phase of LN-type MnTiO₃ has an indirect band gap of 0.85 eV. The calculated local magnetic moment of Mn ion is 4.19 μ[sub B]. The calculated Born effective charges (BECs, denoted by tensor Z*) show that the Z* of Ti and O atoms are significantly and anomalously large. Interestingly, ferroelectric spontaneous polarization of large magnitude is predicted to be along [111] direction with a magnitude of 87.95–105.22 μC/cm². B-site Ti ions in 3 d⁰ state dominate ferroelectric polarization of multiferroic MnTiO₃, whereas A-site Mn ions having partially filled 3 d⁵ orbitals are considered to contribute to its antiferromagnetic properties. Furthermore, it is predicted that multiferroic MnTiO₃ shows good dielectric and optical properties. | - |
dcterms.accessRights | open access | en_US |
dcterms.bibliographicCitation | Journal of materials research, 14 June 2012, v. 27, no. 11, p. 1421-1429 | - |
dcterms.isPartOf | Journal of materials research | - |
dcterms.issued | 2012-06-14 | - |
dc.identifier.isi | WOS:000304067600001 | - |
dc.identifier.scopus | 2-s2.0-84861112594 | - |
dc.identifier.eissn | 2044-5326 | - |
dc.identifier.rosgroupid | r57490 | - |
dc.description.ros | 2011-2012 > Academic research: refereed > Publication in refereed journal | - |
dc.description.oa | Version of Record | en_US |
dc.identifier.FolderNumber | OA_IR/PIRA | en_US |
dc.description.pubStatus | Published | en_US |
Appears in Collections: | Journal/Magazine Article |
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