Arseam

International Journal of Advances in Engineering & Scientific Research

ELECTRONIC STRUCTURE AND ELECTRICAL PROPERTIES OF SURFACES, INTERFACES, AND THIN FILMS

Madhvi Trivedi

Madhvi Trivedi, Assistant Professor, Department of Physics, Faculty of Science, S.P.U. PG College Falna, Pali Rajasthan

DOI : https://doi.org/ 10.5281/zenodo.19343793 Page No : 66-79

Published Online : 2026-03-31

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ABSTRACT

Aim of the study: This research investigates the intrinsic electronic properties of semiconductor interfaces, including metal-semiconductor and insulator-semiconductor junctions, to elucidate their determining influence on device characteristics.

Methodology: This study employs a multi-scale theoretical approach, integrating density functional theory for atomic-scale interactions with macroscopic models to capture space-charge effects, thereby addressing limitations of conventional methods in characterizing non-ideal interfaces.

Findings: The electronic band structures at these interfaces are significantly modified by atomic-scale interactions and defects, introducing localized states within the band gap that critically impact carrier transport and recombination mechanisms. This intricate interplay between interface chemical structure and electronic states necessitates a comprehensive understanding of defect formation and their subsequent impact on band alignment and barrier formation.

Implication: A deeper understanding of these interfacial phenomena is crucial for optimizing device performance, particularly in technologies reliant on charge transfer and energy conversion, such as solar cells and thermoelectric devices. For instance, the precise control over interfacial morphology directly impacts band bending, which is critical for photocatalytic applications.

Originality/Value: This study offers a novel perspective by systematically correlating atomic-level structural parameters, obtained through rigorous first-principles calculations, with the macroscopic electrical responses of diverse interface systems, thereby bridging a critical gap in theoretical materials science.

Keywords: Semiconductor interfaces, electronic structure, density functional theory, band alignment, defect engineering.

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Cite this Article as: Madhvi T (2026), “Electronic Structure and Electrical Properties of Surfaces, Interfaces, and Thin Films”, International Journal of Advances in Engineering & Scientific Research, Volume 13, Issue 1, 2026, pp 66-79. DOI : https://doi.org/ 10.5281/zenodo.19343793

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