Synthesis and ab initio calculations of nanolaminated (Cr,Mn)2AlC compounds

Aurelija Mockute, Martin Dahlqvist, Jens Emmerlich, Lars Hultman, Jochen M. Schneider, Per O. Å. Persson, and Johanna Rosen
Phys. Rev. B 87, 094113 – Published 26 March 2013

Abstract

We present an ab initio theoretical analysis of the temperature-dependent stability of inherently nanolaminated (Cr1xMnx)2AlC. The results indicate energetic stability over the composition range x = 0.0 to 0.5 for temperatures ≥600 K. Corresponding thin film compounds were grown by magnetron sputtering from four elemental targets. X-ray diffraction in combination with analytical transmission electron microscopy, including electron energy-loss spectroscopy and energy dispersive x-ray spectroscopy analysis, revealed that the films were epitaxial (0001)-oriented single-crystals with x up to 0.16.

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  • Received 28 June 2012

DOI:https://doi.org/10.1103/PhysRevB.87.094113

©2013 American Physical Society

Authors & Affiliations

Aurelija Mockute1, Martin Dahlqvist1, Jens Emmerlich2, Lars Hultman1, Jochen M. Schneider2, Per O. Å. Persson1, and Johanna Rosen1

  • 1Thin Film Physics, Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden
  • 2Materials Chemistry, RWTH-Aachen, D-52074 Aachen, Germany

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Issue

Vol. 87, Iss. 9 — 1 March 2013

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