Energy Level Calculation for a Lithium Metal Film

Abstract

The study analyzes the electronic and thermodynamic properties of thin lithium films using the Green's Function Method, a powerful tool for solving equations of periodic systems. It focuses on the impact of limited size on the quantum properties of thin films, leading to energy level quantization that significantly affects the density of states (DOS) and heat capacity. The research also examines the effect of temperature on thermodynamic behavior, showing a substantial reduction in heat capacity in thin films as thickness decreases.

The tight-binding model is employed to understand electron interactions in materials with periodic potentials, integrating Schrödinger’s equation and Bloch’s theorem to comprehend the electronic band structure. The methodology relies on Fourier transforms and reciprocal lattice analysis to calculate energy levels. The study highlights that thin films with small thicknesses exhibit a strong quantization effect, resulting in significantly spaced energy levels, whereas this effect diminishes with increased thickness.

Practical applications include improving lithium-ion battery efficiency by reducing dendrite growth and enhancing battery stability. These films are also utilized in designing nanotransistors, allowing precise control over energy levels. The results demonstrate that thermal and electronic properties can be greatly optimized by adjusting the film thickness, boosting their applicability in modern energy technologies.