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Information Journal Paper

Title

THEORETICAL STUDY OF OPTO-ELECTRONIC PROPERTIES OF SILAFULLERANES USING DENSITY FUNCTIONAL THEORY

Pages

  77-87

Abstract

 In the following study the typical optical properties of silicon nanoparticles, known as Hydrogenated sila-Fullerene Clusters, have been evaluated using computer simulation. The DENSITY FUNCTIONAL THEORY has been selected as theoretical technique, which has been shown in recent decade as a reliable quantum many body approximation in prediction of optical and electronic properties of materials. All calculations have been done using GAUSSIAN software, under Linux operating system. Also, Gauss View software has been applied as the graphical interface in our calculations. The Results show that there is a little change in the optical gaps versus the size of particles. It is found that the optical gaps of those isomers with jointed-hexagonal rings are a little larger than their corresponding counter parts.

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  • Cite

    APA: Copy

    NAZHAND, MOHAMMAD QASEM, & MARSUSI, FARAH. (2018). THEORETICAL STUDY OF OPTO-ELECTRONIC PROPERTIES OF SILAFULLERANES USING DENSITY FUNCTIONAL THEORY. JOURNAL OF RESEARCH ON MANY BODY SYSTEMS, 7(15 ), 77-87. SID. https://sid.ir/paper/243787/en

    Vancouver: Copy

    NAZHAND MOHAMMAD QASEM, MARSUSI FARAH. THEORETICAL STUDY OF OPTO-ELECTRONIC PROPERTIES OF SILAFULLERANES USING DENSITY FUNCTIONAL THEORY. JOURNAL OF RESEARCH ON MANY BODY SYSTEMS[Internet]. 2018;7(15 ):77-87. Available from: https://sid.ir/paper/243787/en

    IEEE: Copy

    MOHAMMAD QASEM NAZHAND, and FARAH MARSUSI, “THEORETICAL STUDY OF OPTO-ELECTRONIC PROPERTIES OF SILAFULLERANES USING DENSITY FUNCTIONAL THEORY,” JOURNAL OF RESEARCH ON MANY BODY SYSTEMS, vol. 7, no. 15 , pp. 77–87, 2018, [Online]. Available: https://sid.ir/paper/243787/en

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