FIRST PRINCIPLE CALCULATION OF ELECTRONIC BAND STRUCTURE AND OPTICAL PROPERTIES OF KIO3
2009 ◽
Vol 23
(10)
◽
pp. 2405-2412
Keyword(s):
A Value
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The electronic band structure and optical properties of the ferroelectric single crystal KIO 3 have been investigated using the density functional methods. The calculated band structure for KIO 3 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.
2018 ◽
Vol 1
(1)
◽
pp. 46-50
2013 ◽
Vol 02
(02)
◽
pp. 1350007
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2014 ◽
Vol 510
◽
pp. 57-62
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2010 ◽
Vol 24
(31)
◽
pp. 6049-6067
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1992 ◽
Vol 195
(3-4)
◽
pp. 230-238
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Keyword(s):