An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3
• Within DFT we studied electronic structure and optical properties of PbVO3 and BiCoO3. • Four different XC potentials were employed including a modified Becke–Johnson potential (TB–mBJ). • Various optical coefficients were calculated. • Decomposition of the imaginary part of the dielectric tensor...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Milošević, Aleksandar S. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2013 |
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| Schlagwörter: |
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| Umfang: |
7 |
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| Übergeordnetes Werk: |
Enthalten in: Strangers in their hometown: Demographic change, revitalization and community engagement in new Latino destinations - Crowley, Martha ELSEVIER, 2018, an international journal on the physics and chemistry of optical materials and their applications, including devices, Amsterdam [u.a.] |
|---|---|
| Übergeordnetes Werk: |
volume:35 ; year:2013 ; number:10 ; pages:1765-1771 ; extent:7 |
| Links: |
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| DOI / URN: |
10.1016/j.optmat.2013.04.033 |
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ELV016955595 |
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| 520 | |a • Within DFT we studied electronic structure and optical properties of PbVO3 and BiCoO3. • Four different XC potentials were employed including a modified Becke–Johnson potential (TB–mBJ). • Various optical coefficients were calculated. • Decomposition of the imaginary part of the dielectric tensor in terms of the calculated band structure was performed. • TB–mBJ shows best agreement with experiments (compared to the other three XC potentials). | ||
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| 700 | 1 | |a Vukajlović, Filip R. |4 oth | |
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Milošević, Aleksandar S. |
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Elektronische Aufsätze |
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Milošević, Aleksandar S. |
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10.1016/j.optmat.2013.04.033 |
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an ab initio study of electronic structure and optical properties of multiferroic perovskites pbvo3 and bicoo3 |
| title_auth |
An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3 |
| abstract |
• Within DFT we studied electronic structure and optical properties of PbVO3 and BiCoO3. • Four different XC potentials were employed including a modified Becke–Johnson potential (TB–mBJ). • Various optical coefficients were calculated. • Decomposition of the imaginary part of the dielectric tensor in terms of the calculated band structure was performed. • TB–mBJ shows best agreement with experiments (compared to the other three XC potentials). |
| abstractGer |
• Within DFT we studied electronic structure and optical properties of PbVO3 and BiCoO3. • Four different XC potentials were employed including a modified Becke–Johnson potential (TB–mBJ). • Various optical coefficients were calculated. • Decomposition of the imaginary part of the dielectric tensor in terms of the calculated band structure was performed. • TB–mBJ shows best agreement with experiments (compared to the other three XC potentials). |
| abstract_unstemmed |
• Within DFT we studied electronic structure and optical properties of PbVO3 and BiCoO3. • Four different XC potentials were employed including a modified Becke–Johnson potential (TB–mBJ). • Various optical coefficients were calculated. • Decomposition of the imaginary part of the dielectric tensor in terms of the calculated band structure was performed. • TB–mBJ shows best agreement with experiments (compared to the other three XC potentials). |
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10 |
| title_short |
An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3 |
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https://doi.org/10.1016/j.optmat.2013.04.033 |
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Lalić, Milan V. Popović, Zoran S. Vukajlović, Filip R. |
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Lalić, Milan V. Popović, Zoran S. Vukajlović, Filip R. |
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