Superconductivity and magnetism in CuBiSO from first principles

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 14, 2010, Pages

  Mazin, I I ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77955210084     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.140508     Document Type: Article

References (9)

1. A. Ubaldini, E. Giannini, C. Senatore, and D. van der Marel, arXiv:0911.5305 (unpublished).
2. A. Pal, H. Kishan, and V. P. S. Awana, J. Supercond. Novel Magn. 23, 301 (2010). 10.1007/s10948-010-0760-6
3. I. R. Shein and A. L. Ivanovskii, Solid State Commun. 150, 640 (2010). 10.1016/j.ssc.2009.12.028
4. H. Hiramatsu, H. Yanagi, T. Kamiya, K. Ueda, M. Hirano, and H. Hosono, Chem. Mater. 20, 326 (2008). 10.1021/cm702303r
5. The full-potential LAPW method, as implemented in the WIEN2K package, has been used for all calculations. Up to 840 inequivalent k points have been utilized to achieve the self-consistency with the energy convergency better than 0.05 meV.
6. In Ref., unconventional notations for the high symmetry points are used; conventional A (π, 0, π) is called R, and conventional R (π, π, π) is called A. I am using the standard notations.
7. I have tried only a checkerboard antiferromagnetic arrangement since I do not see any a priori reason for any other antiferromagnetic ordering (the fact that the crystal structure coincides with that of pnictide superconductors is not an argument at all that this material would assume the same exotic magnetic structure). Of course, this does not mean that there are no spin fluctuations with a finite wave vector; it only tells us that if such fluctuations occur, they occur at a wave vector, different from π, π (in the unfolded Brillouin-zone notation).
8. I. I. Mazin, Appl. Phys. Lett. 77, 3000 (2000). 10.1063/1.1324720
9. P. Larson, I. I. Mazin, and D. J. Singh, Phys. Rev. B 69, 064429 (2004). 10.1103/PhysRevB.69.064429