Carbon doping in MgB2: role of boron and carbon px(y) bands
DSpace at IIT Bombay
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Title |
Carbon doping in MgB2: role of boron and carbon px(y) bands
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Creator |
SINGH, PRABHAKAR P
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Subject |
electronic structure
alloy superconductor |
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Description |
We have studied the changes in the electronic structure and the superconducting transition temperature Tc of Mg(B1−xCx)2 alloys as a function of x with 0≤x≤0.3. Our density-functional-based approach uses the coherent-potential approximation to describe the effects of disorder, the Gaspari–Gyorffy formalism to estimate the electron–phonon matrix elements and the Allen–Dynes equation to calculate Tc in these alloys. We find that the changes in the electronic structure of Mg(B1−xCx)2 alloys, especially near the Fermi energy EF, come mainly from the outward movement of EF with increasing x, and the effects of disorder in the B plane are small. In particular, our results show a sharp decline in both B and C px(y) states for 0.2≤x≤0.3. Our calculated variation in Tc of Mg(B1−xCx)2 alloys is in qualitative agreement with the experiments.
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Publisher |
Elsevier
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Date |
2009-04-03T09:02:21Z
2011-11-25T20:28:30Z 2011-12-26T13:08:06Z 2011-12-27T05:56:06Z 2009-04-03T09:02:21Z 2011-11-25T20:28:30Z 2011-12-26T13:08:06Z 2011-12-27T05:56:06Z 2003 |
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Type |
Article
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Identifier |
Solid State Communications 127(4), 271-274
0038-1098 http://dx.doi.org/10.1016/S0038-1098(03)00426-5 http://hdl.handle.net/10054/1104 http://dspace.library.iitb.ac.in/xmlui/handle/10054/1104 |
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Language |
en
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