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  • In this paper, we have carried out a theoretical investigation on the structural and optoelectronic properties of NaCl under pressure effect via first principle calculations within the density functional theory. The structural phase transition from NaCl(B1) to CsCl(B2)-type structures is determined. The compound has a very wide bandgap in both phases. Optical properties including the absorption coefficient, optical conductivity and frequency dependent reflectivity are explained to characterize the optical nature of NaCl up to pressure of 134 GPa.
  • In this paper, we have carried out a theoretical investigation on the structural and optoelectronic properties of NaCl under pressure effect via first principle calculations within the density functional theory. The structural phase transition from NaCl(B1) to CsCl(B2)-type structures is determined. The compound has a very wide bandgap in both phases. Optical properties including the absorption coefficient, optical conductivity and frequency dependent reflectivity are explained to characterize the optical nature of NaCl up to pressure of 134 GPa. (en)
Title
  • Phase transition, electronic and optical properties of NaCl under pressure
  • Phase transition, electronic and optical properties of NaCl under pressure (en)
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  • Phase transition, electronic and optical properties of NaCl under pressure
  • Phase transition, electronic and optical properties of NaCl under pressure (en)
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  • RIV/49777513:23640/14:43923969!RIV15-MSM-23640___
http://linked.open...avai/riv/aktivita
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  • P(ED2.1.00/03.0088)
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  • 8
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  • 36401
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  • RIV/49777513:23640/14:43923969
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  • band structure.; optoelectronics; pressure effect; DFT; NaCl (en)
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  • SG - Singapurská republika
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  • [312B6A3C1E63]
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  • Modern Physics Letters B
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  • 28
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  • Khenata, R.
  • Murtaza, G.
  • Al-Jaary, Ali H. Reshak
  • Alahmed, Z.A.
  • Naeem, Ullah
http://linked.open...ain/vavai/riv/wos
  • 000334100100005
issn
  • 0217-9849
number of pages
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  • 10.1142/S0217984914500626
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  • 23640
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