Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cell
Abstract The high-pressure and high-temperature structural, mechanical, and dinamical stability of rhodium has been investigated via synchrotron X-ray diffraction using a resistively heated diamond anvil cell and density functional theory. The isothermal compression data have been fitted with a Rydb...
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Nature Portfolio
2024-11-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-78006-0 |
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| author | Jose Luis Rodrigo-Ramon Simone Anzellini Claudio Cazorla Pablo Botella Aser Garcia-Beamud Josu Sanchez-Martin Gaston Garbarino Angelika D. Rosa Samuel Gallego-Parra Daniel Errandonea |
| author_facet | Jose Luis Rodrigo-Ramon Simone Anzellini Claudio Cazorla Pablo Botella Aser Garcia-Beamud Josu Sanchez-Martin Gaston Garbarino Angelika D. Rosa Samuel Gallego-Parra Daniel Errandonea |
| author_sort | Jose Luis Rodrigo-Ramon |
| collection | DOAJ |
| description | Abstract The high-pressure and high-temperature structural, mechanical, and dinamical stability of rhodium has been investigated via synchrotron X-ray diffraction using a resistively heated diamond anvil cell and density functional theory. The isothermal compression data have been fitted with a Rydberg-Vinet equation of state (EoS) with best-fitting parameters $$V_0$$ V 0 =55.046(16) Å $$^3$$ 3 , $$K_0$$ K 0 = 251(3) GPa, and $$K'_0$$ K 0 ′ = 5.7(2). The thermal equation of state has been determined based upon the data collected following four different isotherms and has been fitted to a Holland and Powell thermal equation-of-state model with $$\alpha _0=$$ α 0 = 3.36(7)x10 $$^{-5}$$ - 5 K $$^{-1}$$ - 1 . The measured equation of state and structural parameters have been compared to the results of ab initio simulations. The agreement between theory and experiments is generally quite good. The present results solve controversies between previous studies which reported values of the bulk modulus from 240 to 300 GPa. |
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| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | Nature Portfolio |
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| spelling | doaj-art-9e1f9e9be9f04ec39b3eb548e20875e72024-11-10T12:22:38ZengNature PortfolioScientific Reports2045-23222024-11-0114111310.1038/s41598-024-78006-0Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cellJose Luis Rodrigo-Ramon0Simone Anzellini1Claudio Cazorla2Pablo Botella3Aser Garcia-Beamud4Josu Sanchez-Martin5Gaston Garbarino6Angelika D. Rosa7Samuel Gallego-Parra8Daniel Errandonea9Department of Applied Physics - Institute of Materials Science, Matter at High Pressure (MALTA) Consolider Team, University of ValenciaDepartment of Applied Physics - Institute of Materials Science, Matter at High Pressure (MALTA) Consolider Team, University of ValenciaDepartment of Physics, Universitat Politècnica de CatalunyaDepartment of Applied Physics - Institute of Materials Science, Matter at High Pressure (MALTA) Consolider Team, University of ValenciaDepartment of Applied Physics - Institute of Materials Science, Matter at High Pressure (MALTA) Consolider Team, University of ValenciaDepartment of Applied Physics - Institute of Materials Science, Matter at High Pressure (MALTA) Consolider Team, University of ValenciaEuropean Synchrotron Radiation FacilityEuropean Synchrotron Radiation FacilityEuropean Synchrotron Radiation FacilityDepartment of Applied Physics - Institute of Materials Science, Matter at High Pressure (MALTA) Consolider Team, University of ValenciaAbstract The high-pressure and high-temperature structural, mechanical, and dinamical stability of rhodium has been investigated via synchrotron X-ray diffraction using a resistively heated diamond anvil cell and density functional theory. The isothermal compression data have been fitted with a Rydberg-Vinet equation of state (EoS) with best-fitting parameters $$V_0$$ V 0 =55.046(16) Å $$^3$$ 3 , $$K_0$$ K 0 = 251(3) GPa, and $$K'_0$$ K 0 ′ = 5.7(2). The thermal equation of state has been determined based upon the data collected following four different isotherms and has been fitted to a Holland and Powell thermal equation-of-state model with $$\alpha _0=$$ α 0 = 3.36(7)x10 $$^{-5}$$ - 5 K $$^{-1}$$ - 1 . The measured equation of state and structural parameters have been compared to the results of ab initio simulations. The agreement between theory and experiments is generally quite good. The present results solve controversies between previous studies which reported values of the bulk modulus from 240 to 300 GPa.https://doi.org/10.1038/s41598-024-78006-0 |
| spellingShingle | Jose Luis Rodrigo-Ramon Simone Anzellini Claudio Cazorla Pablo Botella Aser Garcia-Beamud Josu Sanchez-Martin Gaston Garbarino Angelika D. Rosa Samuel Gallego-Parra Daniel Errandonea Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cell Scientific Reports |
| title | Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cell |
| title_full | Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cell |
| title_fullStr | Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cell |
| title_full_unstemmed | Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cell |
| title_short | Thermal equation of state of rhodium characterized by XRD in a resistively heated diamond anvil cell |
| title_sort | thermal equation of state of rhodium characterized by xrd in a resistively heated diamond anvil cell |
| url | https://doi.org/10.1038/s41598-024-78006-0 |
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