Work

Modeling thermal effects in atomic layer deposition for trench-shaped structures

Year: 2025

Type: article

Abstract: An atomic layer deposition (ALD) simulation approach is presented for transient diffusion of heat and mass at low Knudsen numbers ( K n < 0.1 ), focusing on thermal effects in trench-shaped structures. Two boundary conditions (BCs) are analyzed: the ‘thin wall’ BC incorporates exothermic reactions with a derived wall heat flux term, and the ‘thick wall’ BC maintains constant wall temperature ranging between 500 K and 800 K. For both BCs, we examine aspect ratios from 1 to 100. The chosen BC significantly impacts reaction kinetics/peak temperatures, with local temperature variations up to 200 K under ‘thin wall’ conditions. The coating time ratio between ‘thin wall’ and ‘thick wall’ ranges from 0.9 to 1.7. Two ‘universal’ functional forms are proposed to explain how surface coverage depends on time and how coating time relates to aspect ratio and diffusion timescale. Results emphasize the crucial role of temperature distribution in ALD, impacting growth per cycle, reactant decomposition/desorption, and potential substrate damage.

Source: Chemical Engineering Science

DOI: 10.1016/j.ces.2025.122683

Authors: Gizem Ersavas Isitman, Daulet Izbassarov, Parsa Tamadonfar, Riikka L. Puurunen, Ville Vuorinen

Institutions: Aalto University, Finnish Meteorological Institute

Language: English

Topic: Semiconductor materials and devices

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,050

Funder: Academy of Finland