In:
Japanese Journal of Applied Physics, IOP Publishing, Vol. 32, No. S3 ( 1993-01-01), p. 301-
Abstract:
Electronic band structure calculations are performed for MX (M=Fe, Co; X=S, Se) with the ideal NiAs-type structure by using a linearized augmented-plane-wave (LAPW) method. The denstity of states (DOS) at the Fermi level in the non-magnetic state is significantly reduced with decreasing the lattice constant c . This result is consistent with the fact that FeS (or Fe 7 Se 8 ) having a larger c value shows a magnetic ordering, while CoS (or Co 7 Se 8 ) dose not. In the optical conductivity calculated by neglecting the transition matrix elements, a prominent peak is found at 0.5 eV for FeSe, while a broad hump exists around 1.5 eV for CoSe. The results show good correspondence to experimental data obtained for Fe 7 Se 8 and Co 7 Se 8 .
Type of Medium:
Online Resource
ISSN:
0021-4922
,
1347-4065
DOI:
10.7567/JJAPS.32S3.301
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
1993
detail.hit.zdb_id:
218223-3
detail.hit.zdb_id:
797294-5
detail.hit.zdb_id:
2006801-3
detail.hit.zdb_id:
797295-7
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