Some Ideas on Theoretically Choosing Multifunctional Materials: A Modelling Approach | Chapter 05 | Research Trends and Challenges in Physical Science Vol. 7

 The purpose of this paper is to go over some theoretical possibilities for creating multifunctional nanomaterials. The talks are based on prior estimates for 1D and 2D nanomaterials using the Hubbard model (HM). The key findings of the HM are briefly discussed. The conclusion is that the approach chosen in this paper is clearly superior to those found in the literature. The results of applications of the (HM) are directly employed in instances of engineering nanomaterials in this study. In the literature, however, computations were done using ab initio methods and then adapted to the form of the Hamiltonian of the (HM). It was demonstrated on multiple cases that multifunctional nanoparticles may be engineered by estimating their conductivity, reflectivity, and piezoresistivity sensitivity, making calculations inside the Hubbard model a realistic means of conceptually modelling nanomaterials.

Author(S) Details

V. Celebonovic
LEX Laboratory, Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Zemun-Belgrade, Serbia.

M. G. Nikolic
LEX Laboratory, Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Zemun-Belgrade, Serbia.

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