Temperature effects on distribution and inhomogeneous degree of In–Ga atoms in CuIn 1−x Ga x Se 2 alloys
| Autor: | Wen-Jiang Lu, Hong-Tao Xue, Fu-Ling Tang, Fu-Zhen Zhang, Y.D. Feng |
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| Rok vydání: | 2016 |
| Předmět: |
Phase transition
Materials science Condensed matter physics Mechanical Engineering Monte Carlo method 02 engineering and technology Atmospheric temperature range 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Copper indium gallium selenide solar cells symbols.namesake Lamella (surface anatomy) Mechanics of Materials 0103 physical sciences Boltzmann constant Cluster (physics) symbols General Materials Science 010306 general physics 0210 nano-technology Cluster expansion |
| Zdroj: | Materials Letters. 164:169-171 |
| ISSN: | 0167-577X |
| DOI: | 10.1016/j.matlet.2015.10.105 |
| Popis: | The distribution morphology and inhomogeneous degree of In–Ga atoms in CuIn 1− x Ga x Se 2 (CIGS) alloys with seven Ga concentrations ( x ) were studied as a function of temperature using Monte Carlo simulations based on the first-principles cluster expansion method. We found the Ga(In) atoms in CIGS alloys with different x cluster in a form of sphere, rod, lamella or mass at low temperatures, respectively. The rapid decrease in the inhomogeneous degree σ of CIGS alloys within a certain temperature range indicates a phase transition from an inhomogeneous state to a homogeneous state occurs here. The σ ( T ) data can be well fitted to the Boltzmann function. And we proposed a new method of predicting the phase transition temperature of similar alloys. |
| Databáze: | OpenAIRE |
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