Structural,electronic,and optical studies of chalco-genides stannite Cu2CdSnX4(X=S,Se,and Te):insights from the DFT study

Jamal GUERROUM ¹Mohamed AL-HATTAB ¹Lhoucine MOUDOU ¹Khalid RAHMANI ²Youssef LACHTIOUI ¹Omar BAJJOU³

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作者信息

1. Laboratory of Engineering in Chemistry and Physics of Matter,Faculty of Sciences and Technics,Sultan Moulay Slimane University,Beni Mellal BP 523,23000,Morocco
2. Ecole Normale Supérieure,Mohammed V University in Rabat,Morocco
3. Laboratory of Engineering in Chemistry and Physics of Matter,Faculty of Sciences and Technics,Sultan Moulay Slimane University,Beni Mellal BP 523,23000,Morocco;College of Graduate Studies,University of South Africa,Pretoria,South Africa
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Abstract

In this paper,we have calculated the structural,electronic,and optical properties of chalcogenide stannite Cu2CdSnX4(X=S,Se,Te)materials.The calculations are based on the density functional theory(DFT)method and are performed using the Cambridge sequential total energy package(CASTEP)code included in the Biovia Material Studio 20 soft-ware.All optical properties have been studied in a domain that extends energetically from 10 meV to 40 eV.Our re-sults show that Cu2CdSnX4(X=S,Se,Te)stannite exhibits absorption in the visible region,the refractive index de-creases with increasing energy,and the refractive index values are n=3.2,3.73 and 3.75 for Cu2CdSnS4,Cu2CdSnSe4 and Cu2CdSnTe4,respectively.They show also high conductivity,which implies that this material is promising for so-lar cells.These results argue in favor of the use of these materials in various potential applications.The density of state,band structures,and structural properties of Cu2CdSnX4(X=S,Se,and Te)stannite are also studied in this work.

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出版年

2025

光电子快报(英文版)

天津理工大学

光电子快报(英文版)

影响因子：0.641

ISSN：1673-1905

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