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Synthesis and ab initio calculations of nanolaminated (Cr,Mn)2AlC compounds
被引:101
作者:
Mockute, Aurelija
[1
]
Dahlqvist, Martin
[1
]
Emmerlich, Jens
[2
]
Hultman, Lars
[1
]
Schneider, Jochen M.
[2
]
Persson, Per O. A.
[1
]
Rosen, Johanna
[1
]
机构:
[1] Linkoping Univ, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden
[2] Rhein Westfal TH Aachen, D-52074 Aachen, Germany
基金:
欧洲研究理事会;
瑞典研究理事会;
关键词:
M(N+1)AX(N) PHASES;
TI;
D O I:
10.1103/PhysRevB.87.094113
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
We present an ab initio theoretical analysis of the temperature-dependent stability of inherently nanolaminated (Cr1-xMnx)(2)AlC. 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. DOI: 10.1103/PhysRevB.87.094113
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