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Volumn 82, Issue 2, 2010, Pages

Effects of magnetism and doping on the electron-phonon coupling in BaFe2As2

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EID: 77956341544     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.020506     Document Type: Article
Times cited : (132)

References (34)
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    • Notice that the magnetic moment reported in Table is actually the integral of the absolute value of the magnetization over the cell, and therefore larger than the moment inside the Fe muffin-tin sphere, usually quoted in linearly augmented plane waves (LAPW) calculations
    • Notice that the magnetic moment reported in Table is actually the integral of the absolute value of the magnetization over the cell, and therefore larger than the moment inside the Fe muffin-tin sphere, usually quoted in linearly augmented plane waves (LAPW) calculations.
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    • The accuracy of the rigid-band approximation is difficult to access quantitatively, given that the e-ph coupling is sensitive not only to the band structure, but also to the magnetic moments and the deformation potential. However, we have verified that for the doping |δ| =25% the DOS of the entire Fe-derived band, calculated in the corresponding supercells, and in the virtual crystal approximation, remains rather close (i.e., ±10%) to the rigid-band DOS, therefore we consider application of the rigid-band approximation in this interval to be meaningful
    • The accuracy of the rigid-band approximation is difficult to access quantitatively, given that the e-ph coupling is sensitive not only to the band structure, but also to the magnetic moments and the deformation potential. However, we have verified that for the doping | δ | = 25 % the DOS of the entire Fe-derived band, calculated in the corresponding supercells, and in the virtual crystal approximation, remains rather close (i.e., ± 10 %) to the rigid-band DOS, therefore we consider application of the rigid-band approximation in this interval to be meaningful.
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