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Electronic Band Structure of Cadmium Chromium Chalcogenide Spinels: CdCr2S4 and CdCr2Se4

โœ Scribed by N. Shanthi; Priya Mahadevan; D.D. Sarma

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
333 KB
Volume
155
Category
Article
ISSN
0022-4596

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โœฆ Synopsis

We report ab initio band structure results for two chromium chalcogenide spinels, CdCr 2 S 4 and CdCr 2 Se 4 . Electronic structures have been calculated for both the nonmagnetic and the ferromagnetic states. The calculations correctly predict CdCr 2 Se 4 to be a ferromagnetic insulator. The results for CdCr 2 S 4 correspond to a ferromagnetic semimetallic ground state, with very low density of states at the Fermi energy and a nearly gapped structure. Strong exchange splitting in both compounds suggests the possibility of realizing a half-metallic ferromagnetic state in doped Cr chalcogenide spinels.

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โœ Fu Qiang Huang; James A. Ibers ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 445 KB

The R 1 indices are 0.0257, 0.0255, and 0.0241. The cell dimensions of Rb 2 Gd 4 Cu 4 S 9 (a, b, c (A s ), (3)) is 13.897(1), 3.9883(3), 16.054(1), 109.273(1), and the R 1 index is 0.0199. All eight compounds have closely related three-dimensional tunnel structures. All alkali metal atoms in the tu