Structure, Morphology, Heat Capacity, and Electrical Transport Properties of Ti3(Al,Si)C2 Materials
Abstract
:1. Introduction
2. Experimental
3. Characterization
3.1. Characterization of the Crystallographic Structure
3.2. Microstructure Characterization
3.3. Heat Capacity
3.4. Electrical Resistivity and Magnetoresistance
3.5. Density of States Calculations
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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x (Si at.%) | Ti3(Al1−xSix)C2 | TiC | Al2O3 | TiSi2 |
---|---|---|---|---|
0 | 88(3) | 12.3(7) | 0 | - |
1/3 | 89(2) | 6(1) | 5(1) | 0 |
1/2 | 87(2) | 8(1) | 3(1) | 0 |
2/3 | 91(2) | 6(2) | 3(1) | 0 |
1 | 62(3) | 27(2) | - | 11(1) |
x (Si at.) | a (Å) | c (Å) | ||
---|---|---|---|---|
0 | 3.0746(2) | 18.5670(6) | 0.1273(3) | 0.5692(8) |
1/3 | 3.0736(1) | 18.1500(3) | 0.1310(2) | 0.5720(5) |
1/2 | 3.0718(1) | 17.9511(3) | 0.1326(2) | 0.5711(5) |
2/3 | 3.0713(1) | 17.8588(2) | 0.1334(1) | 0.5723(4) |
1 | 3.0674(2) | 17.6723(5) | 0.1353(2) | 0.5743(9) |
Parameter | Ti3AlC2 | Ti3Al2/3Si1/3C2 | Ti3Al1/2Si1/2C2 | Ti3Al1/3Si2/3C2 |
---|---|---|---|---|
(K) | 484.2 ± 1.6 | 412.1 ± 0.4 | 472.0 ± 0.7 | 420.6 ± 0.5 |
(mJ⋅mol−1⋅K−2) | 4.848 ± 0.006 | 4.653 ± 0.005 | 4.891 ± 0.003 | 5.893 ± 0.005 |
Parameter | Ti3AlC2 | Ti3Al1/2Si1/2C2 |
---|---|---|
(K) | 396.2 ± 4.1 | 371.9 ± 2.2 |
(K) | 299.6 ± 3.4 | 296.2 ± 2.1 |
(K) | 459.2 ± 4.8 | 506.2 ± 6.2 |
(K) | 652.9 ± 3.4 | 638.3 ± 4.3 |
(K) | 1107 ± 22 | 1098 ± 20 |
(10−5⋅K−1) | 9.1 ± 1.0 | 8.5 ± 0.5 |
Compound | Lattice Parameters (Å) | Atoms | Wyckoff Positions | x | y | z |
---|---|---|---|---|---|---|
Ti3AlC2 | a = 3.0547 b = 3.0547 c = 18.453 | Ti-1 | 2a | 0 | 0 | 0 |
Ti-2 | 4f | 1/3 | 2/3 | 0.128 | ||
Al | 2b | 0 | 0 | 0.25 | ||
C | 4f | 1/3 | 2/3 | 0.064 | ||
Ti3Al3/4Si1/4C2 | a = 6.090 b = 6.090 c = 18.396 | Ti-1 | 6g | 1/2 | 1/2 | 1/2 |
Ti-2 | 2a | 0 | 0 | 1/2 | ||
Ti-3 | 12k | 0.331 | 0.166 | 0.129 | ||
Ti-4 | 4f | 1/3 | 2/3 | 0.127 | ||
Si/Al | 2b | 1/2 | 0 | 1/4 | ||
Al/Si | 6h | 0.498 | 0.502 | 1/4 | ||
C-1 | 12k | 0.167 | 0.834 | 0.070 | ||
C-2 | 4f | 1/3 | 2/3 | 0.57 | ||
Ti3Al1/2Si1/2C2 | a = 6.103 b = 6.103 c = 18.064 | Ti-1 | 6n | 0.5006 | 0.4999 | 0.246 |
Ti-2 | 2g | 0 | 0 | 0.247 | ||
Ti-3 | 6n | 0.167 | 0.833 | 0.117 | ||
Ti-4 | 6n | 0.834 | 0.166 | 0.378 | ||
Ti-5 | 2h | 1/3 | 2/3 | 0.375 | ||
Ti-6 | 2i | 2/3 | 1/3 | 0.113 | ||
Si-1 | 3j | 0.490 | 0.510 | 0 | ||
Si-2 | 1b | 0 | 0 | 1/2 | ||
Al.-1 | 1a | 0 | 0 | 0 | ||
Al.-2 | 3k | 0.493 | 0.507 | 1/2 | ||
C-1 | 6n | 0.166 | 0.834 | 0.317 | ||
C-2 | 6n | 0.833 | 0.167 | 0.176 | ||
C-3 | 2h | 1/3 | 2/3 | 0.177 | ||
C-4 | 2i | 2/3 | 1/3 | 0.318 | ||
Ti3Al1/4Si3/4C2 | a = 6.157 b = 6.157 c = 18.012 | Ti-1 | 6g | 1/2 | 1/2 | 1/2 |
Ti-2 | 2a | 0 | 0 | 1/2 | ||
Ti-3 | 12k | 0.335 | 0.168 | 0.132 | ||
Ti-4 | 4f | 1/3 | 2/3 | 0.134 | ||
Al | 2b | 0 | 0 | 1/4 | ||
Si | 6h | 0.504 | 0.496 | 1/4 | ||
C-1 | 12k | 0.167 | 0.833 | 0.071 | ||
C-2 | 4f | 1/3 | 2/3 | 0.571 | ||
Ti3SiC2 | a = 3.0422 b = 3.0422 c = 17.620 | Ti-1 | 2a | 0 | 0 | 0 |
Ti-2 | 4f | 1/3 | 2/3 | 0.135 | ||
Si | 2b | 0 | 0 | 0.25 | ||
C | 4f | 1/3 | 2/3 | 0 |
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Goc, K.; Przewoźnik, J.; Witulska, K.; Chlubny, L.; Tokarz, W.; Strączek, T.; Michalik, J.M.; Jurczyk, J.; Utke, I.; Lis, J.; et al. Structure, Morphology, Heat Capacity, and Electrical Transport Properties of Ti3(Al,Si)C2 Materials. Materials 2021, 14, 3222. https://doi.org/10.3390/ma14123222
Goc K, Przewoźnik J, Witulska K, Chlubny L, Tokarz W, Strączek T, Michalik JM, Jurczyk J, Utke I, Lis J, et al. Structure, Morphology, Heat Capacity, and Electrical Transport Properties of Ti3(Al,Si)C2 Materials. Materials. 2021; 14(12):3222. https://doi.org/10.3390/ma14123222
Chicago/Turabian StyleGoc, Kamil, Janusz Przewoźnik, Katarzyna Witulska, Leszek Chlubny, Waldemar Tokarz, Tomasz Strączek, Jan Marek Michalik, Jakub Jurczyk, Ivo Utke, Jerzy Lis, and et al. 2021. "Structure, Morphology, Heat Capacity, and Electrical Transport Properties of Ti3(Al,Si)C2 Materials" Materials 14, no. 12: 3222. https://doi.org/10.3390/ma14123222