Electronic structure and optical properties of CuGaS2 and CuInS2 solar cell materials

Solar Energy

Volumn 84, Issue 8, 2010, Pages 1481-1489

  Soni, Amit ^a   Gupta, Vikas ^b   Arora, C M ^b   Dashora, Alpa ^c   Ahuja, B L ^c  

^a Global Institute of Technology   (India)

^b MALAVIYA NATIONAL INSTITUTE OF TECHNOLOGY   (India)

^c M L SUKHADIA UNIVERSITY   (India)

Author keywords

Density functional theory; Dielectric properties; Solar cells

Indexed keywords

ABSORPTION COEFFICIENTS; ABSORPTION OF SOLAR RADIATION; AUGMENTED PLANE-WAVE METHOD; DENSITY OF STATE; DIELECTRIC TENSORS; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; ENERGY BAND; LCAO-DFT CALCULATIONS; LINEAR COMBINATION OF ATOMIC ORBITALS; SOLAR CELL MATERIALS;

ABSORPTION; BAND STRUCTURE; COPPER COMPOUNDS; DIELECTRIC PROPERTIES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; QUANTUM CHEMISTRY; SOLAR CELLS; SUN;

DENSITY FUNCTIONAL THEORY;

ABSORPTION; DENSITY; DIELECTRIC PROPERTY; FUNCTIONAL CHANGE; LINEARITY;

EID: 77954311867     PISSN: 0038092X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solener.2010.05.010     Document Type: Article

References (24)

1. 2. Solar Energy Mater Solar Cells 1998, 53(3):357-366.
2. 2. Phys. Rev. B 2001, 63(7):075203-1-075203-13.
3. Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. B 1988, 38(6):3098-3100.
4. Blaha P., Schwarz K., Luitz J. Wien2K Code, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties 2001, Vienna University of Technology, Vienna, Austria.
5. Blaha P., Schwarz K., Sorantin P., Rickey S.B. Full-potential linearized augmented plane wave programs for crystalline systems. Comput. Phys. Commun. 1990, 59(2):399-415.
6. Draxl C.A., Sofo J.O. Linear optical properties of solids within the full-potential linearised augmented plane wave method. Comput. Phys. Commun. 2006, 175(1):1-14.
7. 2. Eur. Phys. J. B 2003, 33(3):251-254.
8. 2. Phys. Rev. B 1983, 28(10):5822-5847.
9. 2 chalcopyrite semiconductors. Phys. Rev. B 1984, 29(4):1882-1906.
10. 2. Comput. Mater. Sci. 2006, 38(1):223-230.
11. 2 from ab initio calculations. J. Chem. Phys. 2002, 117(6):2726-2731.
12. Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37(2):785-789.
13. 2 chalcopyrite semiconductors. Phys. Rev. B 1978, 18(8):4212-4220.
14. Perdew J.P., Zunger A. Self-interaction correlation to density-functional approximations for many-electron systems. Phys. Rev. B 1981, 23(10):5048-5079.
15. Perdew J.P., Wang Y. Accurate and simple density functional for the electronic exchange energy: generalized gradient approximation. Phys. Rev. B 1986, 33(12):8800-8802.
16. 2 chalcopyrite semiconductors: effects of chemical substitutions. Phys. Rev. B 2001, 63(16):165212-1-165212-12.
17. Raulot J.M., Domain C., Guillemoles J.F. Ab initio investigation of potential indium and gallium free chalcopyrite compounds for photovoltaic application. J. Phys. Chem. Solids 2005, 66(11):2019-2023.
18. 2 (X = S, Se, Te) chalcopyrite-structure compounds. PMC Phys. B 2008, 1(12):1-17.
19. Saunders V.R., Dovesi R., Roetti C., Orlando R., Zicovich-Wilson C.M., Harrison N.M., Doll K., Cevalleri B., Bush I.J., D'Arco Ph., Llunell M. CRYSTAL 2003 Users Manual 2003, University of Torino, Toniro, Italy.
20. 2 based thin film photovoltaics. Solar Energy 2004, 77(6):777-784.
21. 2 absorbers. Solar Energy 2009, 83(9):1683-1688.
22. Towler M.D., Zupan A., Causa M. Density functional theory in periodic systems using local Gaussian basis sets. Comput. Phys. Commun. 1996, 98(1-2):181-205.
23. Vosko S.H., Wilk L., Nusair M. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis. Can. J. Phys. 1980, 58(8):1200-1211.
24. Wu Z., Cohen R.E. More accurate generalized gradient approximation for solids. Phys. Rev. B 2006, 73(23):235116-1-235116-6.