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Ab initio study of structural, electronic and optical properties of MnHg(SCN)4 and FeHg(SCN)4

✍ Scribed by K.H. He; G. Zheng; G. Chen; T. Lü; M. Wan; G.F. Ji

Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
310 KB
Volume
390
Category
Article
ISSN
0921-4526

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Ab initio study of structural, elastic, electronic and optical properties of spinel SnMg2O4
✍ M. Reffas; A. Bouhemadou; R. Khenata; T. Ouahrani; S. Bin-Omran 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 412 KB

Ab initio study of structural, elastic, electronic and optical properties of the cubic spinel oxide SnMg 2 O 4 has been reported using the pseudo-potential plane-wave method within the local density approximation and the gradient generalized approximation for the exchange and correlation potential.