Compton scattering study of MnO2. Issue 185 (22nd November 2017)

• Record Type: Journal Article
• Authors: Vashistha, M.; Phalaswal, D. R.; Kabra, K.; Kumar, R.; Sharma, B. K.; Sharma, G.
• Is Part Of: Integrated ferroelectrics. Issue 185(2017)
• Page Start: 47
• Page End: 51
• Publication Date: 2017-11-22
• Subjects: Electron momentum density -- metal oxide -- linear combination of atomic orbitals -- charge transfer; Ferroelectric devices -- Periodicals; Integrated circuits -- Periodicals; 537.244805
• DOI: 10.1080/10584587.2017.1370288
• Languages: English
• ISSNs: 1058-4587

Abstract

ABSTRACT: The results of the Compton scattering study of MnO2 are presented in this paper. 241 Am source based Gamma-ray Compton spectrometer is used for experimental measurement. The theoretical values of the electron momentum density distribution are evaluated by the Linear combination of atomic orbitals method within the framework of density functional theory and compared with the experimental data. The estimation of charge transfer in MnO2 using ionic model is also performed and it was found that there is a charge transfer of 1.5 electrons from the 4s state of Mn to the 2p state of O atoms.