AI Article Synopsis
- The paper explores how strain affects the structural, electronic, and phonon properties of the SrBaSn half Heusler compound, highlighting its stability based on chemical thermodynamics.
- When subjected to uniform strain, the compound initially shows a direct bandgap of 0.7 eV, which decreases significantly to 0.19 eV at -12% strain, marking a point of instability.
- In the range of +5% to +8% strain, an indirect bandgap is found, ranging from 0.63 eV to 0.39 eV, but further strain leads to structural destabilization, while the material is generally observed to be ductile based on its elastic parameters.
Article Abstract
This paper presents the strain effects on the structural, electronic and phonon properties of a newly proposed SrBaSn half Heusler compound. Since it is stable considering chemical thermodynamics, we tested its strength against uniform strain w.r.t phonon spectrum and it produces a direct bandgap of 0.7 eV. The direct bandgap reduces to 0.19 eV at -12% strain beyond which the structure is unstable. However, an indirect gap of 0.63 eV to 0.39 eV is observed in the range of +5% to +8% strain and afterwards the strain application destabilizes the structure. From elastic parameters, the ductile nature of this material is observed.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9230887 | PMC |
| http://dx.doi.org/10.3390/molecules27123785 | DOI Listing |
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