Interatomic Correlations Moments of Atoms in the Two-Dimensional Hexagonal Lattice by Using Morse and Lenard-Jones Potentials
Cl\'oves Gon\c{c}alves Rodrigues
TL;DR
This paper analyzes interatomic correlation moments in a 2D hexagonal lattice of a weakly anharmonic crystal using CUSF, comparing Morse and Lennard-Jones potentials to understand atomic interactions.
Contribution
It introduces a method to compute interatomic correlation moments in 2D crystals using CUSF with Morse and Lennard-Jones potentials, providing comparative numerical results.
Findings
Correlation moments vary with potential type
Morse and Lennard-Jones potentials yield different correlation behaviors
Results enhance understanding of atomic interactions in 2D crystals
Abstract
In this work we investigate the interatomic correlation moments in two-dimensional model of a weakly anharmonic crystal (i.e., not very high temperatures) with hexagonal lattice, using the Correlative Method of Unsymmetrized Self-Consistent Field (CUSF). The numerical results are obtained (and compared) by using the Morse and Lenard-Jones potentials.
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Taxonomy
TopicsQuantum, superfluid, helium dynamics · Optical properties and cooling technologies in crystalline materials · Thermodynamic and Structural Properties of Metals and Alloys