EXAFS studies of the local environment of lead and selenium atoms in PbTe$_{1-x}$Se$_x$ solid solution
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2026
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| _version_ | 1866911461266161664 |
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| author | Lebedev, A. I. Sluchinskaya, I. A. Demin, V. N. Munro, I. |
| author_facet | Lebedev, A. I. Sluchinskaya, I. A. Demin, V. N. Munro, I. |
| contents | EXAFS spectroscopy is used to study the local environment of lead and selenium atoms in PbTe$_{1-x}$Se$_x$ solid solution. In addition to a bimodal distribution of bond lengths in the first shell, unusually large Debye--Waller factors for the Pb--Pb interatomic distances in the second shell and a substantial deviation of these distances from Vegard's law are observed. Valence force field (VFF) calculations show that these observations are due to the complex structure of the distribution function for Pb--Pb distances. It is found that the number of Se--Se pairs in the second shell surpasses the statistical value, which indicates that chemical factors play an important role in the structure of the solid solution. The contribution of these chemical factors to the enthalpy of mixing of the solid is estimated to be approximately 0.5 kcal/mole, which is comparable to the strain contribution. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_18789 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | EXAFS studies of the local environment of lead and selenium atoms in PbTe$_{1-x}$Se$_x$ solid solution Lebedev, A. I. Sluchinskaya, I. A. Demin, V. N. Munro, I. Materials Science EXAFS spectroscopy is used to study the local environment of lead and selenium atoms in PbTe$_{1-x}$Se$_x$ solid solution. In addition to a bimodal distribution of bond lengths in the first shell, unusually large Debye--Waller factors for the Pb--Pb interatomic distances in the second shell and a substantial deviation of these distances from Vegard's law are observed. Valence force field (VFF) calculations show that these observations are due to the complex structure of the distribution function for Pb--Pb distances. It is found that the number of Se--Se pairs in the second shell surpasses the statistical value, which indicates that chemical factors play an important role in the structure of the solid solution. The contribution of these chemical factors to the enthalpy of mixing of the solid is estimated to be approximately 0.5 kcal/mole, which is comparable to the strain contribution. |
| title | EXAFS studies of the local environment of lead and selenium atoms in PbTe$_{1-x}$Se$_x$ solid solution |
| topic | Materials Science |
| url | https://arxiv.org/abs/2602.18789 |