Modeling of size and shape dependent band gap,dielectric constant and phonon frequency of semiconductor nanosolids |
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| Institution: | 1. Department of Physics and Electronics, National University of Lesotho, Southern Africa;2. Department of Physics, GLA University, Mathura-281406, India;1. Department of Physics, The University of Azad Jammu and Kashmir, Muzaffarabad 13100, Azad Kashmir, Pakistan;2. National Center for Physics at QAU Campus, Shahdra Valley Road, Islamabad 44000, Pakistan;1. Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan;2. Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan;3. Institute of Physics, Academia Sinica, Nankang 11529, Taiwan;4. Department of Physics, University of Maryland, College Park, MD 20742, USA;1. Institute of Physical Research and Technology, Peoples’ Friendship University of Russia (RUDN), Moscow, Russian Federation;2. Department of Physics, Federal University Lokoja (FULOKOJA), Lokoja, Nigeria;3. Department of Physical Science, Joseph Ayo Babalola University (JABU), Ikeji-Arakeji, Nigeria;4. Physics Department, Osun State University (UNIOSUN), Oshogbo, Nigeria |
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| Abstract: | A bond theory model is extended to study the size and shape dependent optoelectronics properties of semiconductors solids at nanoscale. On structural miniaturization down to nano scale, the optical parameters no longer remain stable but become tunable. The fraction of surface atoms and the dangling bonds on the surface affects the properties of semiconductors at nanoscale. The theory is applied to study the size and shape dependent energy band gap, dielectric constant and phonon frequency of TiO2, CdS, CdSe, Si and GaN semiconductor nanosolids. We incorporated the relaxation factor, defined as the ratio of dangling bonds and the total bonds of atoms at nano scale. It is predicted that as the energy band increases with decrease in size, the effect becomes more when shape changes from spherical to tetrahedral. The model projects a decrease in phonon frequency and dielectric constants of semiconductor nanostructured materials with decrease in particle size. A good agreement between predicted results and the available experimental data is projected. |
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