Optical band gap in the system ZnO1 – x S x . An experimental and quantum chemical study
Source abstract
Abstract
The synthesis of single crystalline and polycrystalline material is reported in the system ZnO1 – xSx. Substitution of oxygen by sulphur yields hexagonal wurtzite-type mixed crystals in the range 0 ≤ x ≤ 0.05. The cubic zincblende structure is observed for oxygen incorporation into ZnS for 0.96 ≤ x ≤ 1. At intermediate compositions, the system is two-phase. For both types of anion substitution, the band gap energies, as determined from optical transmission and remission experiments, are found to decrease from the pure end members. Quantum chemical calculations at density functional level identify local structural changes as the main factor responsible for the reduction of band gap energies.
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Research context
OpenAlex topics: ZnO doping and properties · Chalcogenide Semiconductor Thin Films · Perovskite Materials and Applications
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References (20)
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1. Dietl T, Ohno H, Matsakura F, Cibert J, Ferrand D (2000) Science 287:101910.1126/science.287.5455.1019 ↗
2. Ohtomo A, Kawasaki M, Koida T, Masabuchi K, Koinuma H, Sakurai Y, Yoshida Y, Yasuda T, Segawa Y (1998) Appl Phys Lett 72:246610.1063/1.121384 ↗
3. Chpoopun S, Vispute RD, Yang W, Sharma RP, Venkatesan T, Shen H (2002) Appl Phys Lett 80:152910.1063/1.1456266 ↗
4. Meyer BK, Polity A, Farangis B, He Y, Hasselkamp D, Krämer Th, Wang C (2004) Appl Phys Lett 85:492910.1063/1.1825053 ↗
5. Jin Z, Fukumara T, Kawasaki M, Ando K, Saito H, Sekiguchi T, Yoo YZ, Murakami M, Matsumoto Y, Hasegawa T, Koinuma H (2001) Appl Phys Lett 78:382410.1063/1.1377856 ↗
6. Yoo Y-Z, Fukumara T, Jin Z, Hasegawa K, Kawasaki M, Ahmet P, Chikow T, Koinuma H (2001) J Appl Phys 90:424610.1063/1.1402142 ↗
7. Fukumura T, Jin Z, Kawasaki M, Shono T, Hasegawa T, Koshihara S, Koinuma H (2001) Appl Phys Lett 78:95810.1063/1.1348323 ↗
8. Kolesnik S, Dabrowski B (2004) J Appl Phys 96:537910.1063/1.1755428 ↗
9. Yoo Y-Z, Jin T-W, Chikow T, Fukumara T, Kawasaki M, Koinuma H (2002) Appl Phys Lett 81:379810.1063/1.1521577 ↗
10. Thomas J (1960) J Phys Solids 15:8610.1016/0022-3697(60)90104-9 ↗
11. Landolt-Börnstein, In: Semiconductors, vol 17. Springer, Berlin 1982, p 50
12. Soref A, Moos HW (1964) J Appl Phys 35:215210.1063/1.1702807 ↗
13. Wilke K-Th, Bohm J (1988) Kristallzüchtung. Verlag Harri Deutsch, Frankfurt/M
14. Elliot, (1998) The Physics and Chemistry of Solids, Wiley, New York, Chap. 5
15. Pankove JI, (1975) Optical Processes in Semiconductors, Dover Publications, New York, Chap. 3
16. Kubelka P, Munk F (1931) Z techn Phys 12:593
17. Yin S, Yamaki H, Zhang Q, Komatsu M, Wang J, Tang Q, Saito F, Sato T (2004) Solid State Ionics 172:20510.1016/j.ssi.2004.05.018 ↗
18. Saunders R, Dovesi R, Roetti C, Orlando R, Zicovich-Wilson CM, Harrison NM, Doll K, Civalleri B, Bush I, D’Arco Ph and Llunell M (2003) CRYSTAL03 User’s Manual, University of Torino, Torino, http://www.crystal.unito.it/
19. Homann T, Hotje U, M Binnewies M, Börger A, Becker KD, Bredow T (2006) Solid State Sci 8:4410.1016/j.solidstatesciences.2005.08.015 ↗
20. Theis D (1977) Phys Status Solidi B 79:12510.1002/pssb.2220790112 ↗