van Wijk, Thijs G.I., Melan, E. Aylin, Mary Joy, Rani, Guillaume, Emerick Y., Pobedinskas, Paulius, Haenen, Ken, Vanpoucke, Danny E.P. (2025) The impact of strain on the GeV-color center in diamond. Carbon, 234. doi:10.1016/j.carbon.2024.119928
Reference Type | Journal (article/letter/editorial) | ||
---|---|---|---|
Title | The impact of strain on the GeV-color center in diamond | ||
Journal | Carbon | ||
Authors | van Wijk, Thijs G.I. | Author | |
Melan, E. Aylin | Author | ||
Mary Joy, Rani | Author | ||
Guillaume, Emerick Y. | Author | ||
Pobedinskas, Paulius | Author | ||
Haenen, Ken | Author | ||
Vanpoucke, Danny E.P. | Author | ||
Year | 2025 (March) | Volume | 234 |
Publisher | Elsevier BV | ||
DOI | doi:10.1016/j.carbon.2024.119928Search in ResearchGate | ||
Generate Citation Formats | |||
Mindat Ref. ID | 17921353 | Long-form Identifier | mindat:1:5:17921353:3 |
GUID | 0 | ||
Full Reference | van Wijk, Thijs G.I., Melan, E. Aylin, Mary Joy, Rani, Guillaume, Emerick Y., Pobedinskas, Paulius, Haenen, Ken, Vanpoucke, Danny E.P. (2025) The impact of strain on the GeV-color center in diamond. Carbon, 234. doi:10.1016/j.carbon.2024.119928 | ||
Plain Text | van Wijk, Thijs G.I., Melan, E. Aylin, Mary Joy, Rani, Guillaume, Emerick Y., Pobedinskas, Paulius, Haenen, Ken, Vanpoucke, Danny E.P. (2025) The impact of strain on the GeV-color center in diamond. Carbon, 234. doi:10.1016/j.carbon.2024.119928 | ||
In | (2025) Carbon Vol. 234. Elsevier BV |
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Since the HSE06 calculations are performed using the PBE geometries, there is a small offset with regard to the true HSE06 equilibrium volumes. As such, the EOS fitted pressure is not centered at 0GPa. In addition, as the PBE supercells are optimized using an extended k-point set, an EOS fit on the total energies obtained for a Î-only calculations (chosen for consistency between HSE06 and PBE results) presents a similar type of offset. Despite these offsets for the equilibrium configurations (i.e., the middel point of each dataset), the qualitative and quantitative behaviour should be retained. We could also have chosen to present the results as function of the lattice parameter or volume change, expressed in %, in which case nicely aligned curves are obtained. However, this would prevent direct comparison with experimental data. Now however, relative changes in applied stress can directly be compared, considering one takes into consideration the offset of the equilibrium point. | |
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