Yayınlanmış 1 Ocak 2009
| Sürüm v1
Dergi makalesi
Açık
FIRST PRINCIPLE CALCULATION OF ELECTRONIC BAND STRUCTURE AND OPTICAL PROPERTIES OF KIO3
Açıklama
The electronic band structure and optical properties of the ferroelectric single crystal KIO3 have been investigated using the density functional methods. The calculated band structure for KIO3 evidences that the crystal has a direct band gap with a value of 2.83 eV. The structural optimization has been performed. The real and imaginary parts of dielectric function, energy-loss function for volume and surface, and refractive index are calculated along the crystallographic axes.
Dosyalar
bib-5dbf4ba8-9649-4e80-ba85-e805c5eca2fd.txt
Dosyalar
(181 Bytes)
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181 Bytes | Ön İzleme İndir |