Modeling of Structural Defects in Silicon Carbide

Scheelite-like compounds based on SrMoO4 have been studied. Based on X–ray structural data, models of Sr1-3xBi2xMoO4 structures (x=0.2125) are constructed, at x≧0.175, a superstructural ordering is observed associated with the location of cationic vacancies. From the first principles, calculations of the density of states in the vicinity of the forbidden zone are performed. The calculated values of the band gap width were compared with the values obtained from the reflection spectra.

show abstract

Ab initio calculation of the electronic structure of a solid solution of strontium-bismuth molybdat

Соколенко

Buyanova

Mikhaylovskaya

et al. 2021

J. Phys.: Conf. Ser.

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Modeling of Structural Defects in Silicon Carbide

Cited by 1 publication

References 17 publications

Ab initio calculation of the electronic structure of a solid solution of strontium-bismuth molybdat

Ab initio calculation of the electronic structure of a solid solution of strontium-bismuth molybdat

Contact Info

Product

Resources

About