BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization
Abstract This work presents a new method for processing single-crystal semiconductors designed by a computational method to lower the process temperature. This research study is based on a CALPHAD approach (ThermoCalc) to theoretically design processing parameters by utilizing theoretical phase diag...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-03-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-30976-3 |
| _version_ | 1827984392094482432 |
|---|---|
| author | Husain F. Alnaser Taylor D. Sparks |
| author_facet | Husain F. Alnaser Taylor D. Sparks |
| author_sort | Husain F. Alnaser |
| collection | DOAJ |
| description | Abstract This work presents a new method for processing single-crystal semiconductors designed by a computational method to lower the process temperature. This research study is based on a CALPHAD approach (ThermoCalc) to theoretically design processing parameters by utilizing theoretical phase diagrams. The targeted material composition consists of Bi–Se2–Te–Sb (BSTS). The semiconductor alloy contains three phases, hexagonal, rhombohedral-1, and rhombohedral-2 crystal structures, that are presented in the phase field of the theoretical pseudo-binary phase diagram. The semiconductor is also evaluated by applying Hume–Rothery rules along with the CALPHAD approach. Thermodynamic modelling suggests that single-crystals of BSTS can be grown at significantly lower temperatures and this is experimentally validated by low-temperature growth of single crystalline samples followed by exfoliation, compositional analysis, and diffraction. |
| first_indexed | 2024-04-09T22:59:31Z |
| format | Article |
| id | doaj.art-69d8d17099954117bbdf8a5f7f9cbbc1 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-04-09T22:59:31Z |
| publishDate | 2023-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-69d8d17099954117bbdf8a5f7f9cbbc12023-03-22T11:05:07ZengNature PortfolioScientific Reports2045-23222023-03-011311910.1038/s41598-023-30976-3BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimizationHusain F. Alnaser0Taylor D. Sparks1Department of Material Science and Engineering, University of UtahDepartment of Material Science and Engineering, University of UtahAbstract This work presents a new method for processing single-crystal semiconductors designed by a computational method to lower the process temperature. This research study is based on a CALPHAD approach (ThermoCalc) to theoretically design processing parameters by utilizing theoretical phase diagrams. The targeted material composition consists of Bi–Se2–Te–Sb (BSTS). The semiconductor alloy contains three phases, hexagonal, rhombohedral-1, and rhombohedral-2 crystal structures, that are presented in the phase field of the theoretical pseudo-binary phase diagram. The semiconductor is also evaluated by applying Hume–Rothery rules along with the CALPHAD approach. Thermodynamic modelling suggests that single-crystals of BSTS can be grown at significantly lower temperatures and this is experimentally validated by low-temperature growth of single crystalline samples followed by exfoliation, compositional analysis, and diffraction.https://doi.org/10.1038/s41598-023-30976-3 |
| spellingShingle | Husain F. Alnaser Taylor D. Sparks BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization Scientific Reports |
| title | BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization |
| title_full | BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization |
| title_fullStr | BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization |
| title_full_unstemmed | BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization |
| title_short | BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization |
| title_sort | bsts synthesis guided by calphad approach for phase equilibria and process optimization |
| url | https://doi.org/10.1038/s41598-023-30976-3 |
| work_keys_str_mv | AT husainfalnaser bstssynthesisguidedbycalphadapproachforphaseequilibriaandprocessoptimization AT taylordsparks bstssynthesisguidedbycalphadapproachforphaseequilibriaandprocessoptimization |