Infrared, visible and ultraviolet absorptions of transition metal doped ZnS crystals with spin-polarized bands
✍ Scribed by J.H. Zhang; J.W. Ding; J.X. Cao; Y.L. Zhang
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 349 KB
- Volume
- 184
- Category
- Article
- ISSN
- 0022-4596
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✦ Synopsis
The formation energies, electronic structures and optical properties of TM:ZnS systems (TM ¼ Cr 2 + , Mn 2 + , Fe 2 + , Co 2 + and Ni 2 + ) are investigated by using the first principles method. It is found that the wurtzite and zinc-blende structures have about the same stability, and thus can coexist in the TM:ZnS system. From the wurtzite TM:ZnS, especially, a partially filled intermediate band (IB) is obtained at TM ¼ Cr 2 + , Ni 2 + and Fe 2 + , while it is absent at TM ¼ Mn 2 + and Co 2 + . The additional absorptions are obtained in infrared, visible and ultraviolet (UV) regions, due to the completely spin-polarized IB at Fermi level. The results are very helpful for both the designs and applications of TM:ZnS opto-electronics devices, such as solar-cell prototype.