The relative stability of SiC polytypes, changing with temperature, has been considered a paradox for about 30 years, due to discrepancies between theory and experiments. Based on ab initio calculations including van der Waals corrections, a temperature-dependent polytypic diagram consistent with the experimental observations is obtained. Results are easily interpreted based on the influence of the hexagonality on both cohesive energy and entropy. Temperature-dependent stability of stacking faults is also analyzed and found to be in agreement with experimental evidence. Our results suggest that lower temperatures during SiC crystal deposition are advantageous in order to reduce ubiquitous stacking faults in SiC-based power devices.

Scalise, E., Marzegalli, A., Montalenti, F., Miglio, L. (2019). Temperature-Dependent Stability of Polytypes and Stacking Faults in SiC: Reconciling Theory and Experiments. PHYSICAL REVIEW APPLIED, 12(2) [10.1103/PhysRevApplied.12.021002].

Temperature-Dependent Stability of Polytypes and Stacking Faults in SiC: Reconciling Theory and Experiments

Scalise, E;Marzegalli, A;Montalenti, F;Miglio, L
2019

Abstract

The relative stability of SiC polytypes, changing with temperature, has been considered a paradox for about 30 years, due to discrepancies between theory and experiments. Based on ab initio calculations including van der Waals corrections, a temperature-dependent polytypic diagram consistent with the experimental observations is obtained. Results are easily interpreted based on the influence of the hexagonality on both cohesive energy and entropy. Temperature-dependent stability of stacking faults is also analyzed and found to be in agreement with experimental evidence. Our results suggest that lower temperatures during SiC crystal deposition are advantageous in order to reduce ubiquitous stacking faults in SiC-based power devices.
Lettera in rivista
DFT, politypism, SiC, Wide band gap systems
English
29-ago-2019
2019
12
2
021002
reserved
Scalise, E., Marzegalli, A., Montalenti, F., Miglio, L. (2019). Temperature-Dependent Stability of Polytypes and Stacking Faults in SiC: Reconciling Theory and Experiments. PHYSICAL REVIEW APPLIED, 12(2) [10.1103/PhysRevApplied.12.021002].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/240766
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