Evaluating residual stresses in compositionally graded TiN films via ab initio and Rietveld simulation

Author(s)

Miscione, Juan Manuel Costa ; da Silva, Felipe Carneiro ; Marcondes, Michel Lacerda ; Petrilli, Helena Maria ; Schon, Claudio Geraldo

• Document type: Journal article
• Source: MATERIALIA; v. 28, p. 17-pg., 2023-02-24.

Abstract

The grazing incidence X-ray diffraction (GIXRD) stress measurement method, based on the classic sin2 psi method, is a well-established procedure for the evaluation of compressive residual stresses (CRS) in thin deposited films. Problems arise when using this approach in single-phase compositionally graded films, since both mechanical and diffraction properties vary with film depth. A method of obtaining CRS gradient was developed which consists in simulating a stressed GIXRD pattern via Rietveld simulation and ab initio obtained X-ray elastic constants (XECs) in order to evaluate the stress profile across the film. This work successfully describes the CRS profile of compositionally graded TiN films obtained by Grid Assisted Magnetron Sputtering (GAMS), insofar as the biaxial stress assumptions are valid and within the limits imposed by the sin2 psi method. (AU)

• FAPESP's process: 19/07661-9 - Functional lattice instabilities in naturally layered perovskites
• Grantee: Michel Lacerda Marcondes dos Santos
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• FAPESP's process: 18/07760-4 - Functional lattice instabilities in naturally layered perovskites
• Grantee: Helena Maria Petrilli
• Support Opportunities: Regular Research Grants