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Information Journal Paper

Title

Calculation of electronic and optical properties of Na2S in the orthorombic phase

Pages

  145-152

Abstract

 In this paper, the electronic and optical properties of Na2S in the orthorhombic structural phase have been investigated. Calculations were performed by using wien2k package which is based on density functional theory and FP-LAPW method. The results of band structure show that band gap is about 2. 405eV. The orbitals of S and N atoms have the most contribution in valance and conduction band, respectively. The optical properties such as the dielectric function, refractive index, extinction coefficient, absorption coefficient and Energy Loss function have been calculated. The maximum of imaginary part of the dielectric function occurs in 5. 5 eV and this point shows the maximum of absorption and extinctions. On the other hand, the maximum of the real part of dielectric function occurs in 5. 4 eV and this point shows the maximum of reflectance and energy refractive. The results are in good agreement with other available data.

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    APA: Copy

    SALEHI, HAMDOLLAH, Abdoulahi, Emel, Amirian, Peyman, & Javdani, Zohreh. (2017). Calculation of electronic and optical properties of Na2S in the orthorombic phase. JOURNAL OF RESEARCH ON MANY BODY SYSTEMS, 7(13 ), 145-152. SID. https://sid.ir/paper/243760/en

    Vancouver: Copy

    SALEHI HAMDOLLAH, Abdoulahi Emel, Amirian Peyman, Javdani Zohreh. Calculation of electronic and optical properties of Na2S in the orthorombic phase. JOURNAL OF RESEARCH ON MANY BODY SYSTEMS[Internet]. 2017;7(13 ):145-152. Available from: https://sid.ir/paper/243760/en

    IEEE: Copy

    HAMDOLLAH SALEHI, Emel Abdoulahi, Peyman Amirian, and Zohreh Javdani, “Calculation of electronic and optical properties of Na2S in the orthorombic phase,” JOURNAL OF RESEARCH ON MANY BODY SYSTEMS, vol. 7, no. 13 , pp. 145–152, 2017, [Online]. Available: https://sid.ir/paper/243760/en

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