Electronic Structure of the Half-metallic Crystal CoFeMnSi, Obtained by Taking into Account the Strong Correlations of 3d Electrons

Authors S.V. Syrotyuk , V.M. Shved , I.Ye. Lopatynskyi , N.O. Shcherban

National University "Lviv Polytechnic", 12, S. Bandera st., 79013 Lviv, Ukraine

Issue Volume 8, Year 2016, Number 2
Dates Received 11 January 2016; revised manuscript received 13 June 2016; published online 21 June 2016
Citation S.V. Syrotyuk, V.M. Shved, I.Ye. Lopatynskyi, N.O. Shcherban, J. Nano- Electron. Phys. 8 No 2, 02016 (2016)
DOI 10.21272/jnep.8(2).02016
PACS Number(s) 71.15.Ap, 71.20.Be, 71.27. + a
Keywords The energy spectrum of the electrons, Density of electronic states, Spin polarization, Strong electron correlations, Magnetic moment, Spin electronics.
Annotation The electron energy spectra and the electron density of states of the half-metal crystal CoFeMnSi have been calculated without strong electron correlations and with the inclusion of them in the calculation scheme. A significant influence of strong electron correlations of 3d electrons on the band gap value of the crystal was revealed. The assumptions about the values of the mixing parameter in the exchange-correlation functional for metals and semimetals have been done. The conclusion about the importance of taking into account the strong correlations in crystals, containing the transition elements, was done.

List of References

English version of article