Electronic and magnetic behaviors of (V, Mn), (V, Fe) and (V, Cu) codoped tin carbide: Ab initio and Monte Carlo calculationsShow others and affiliations
2022 (English)In: Materials Today: Proceedings, Elsevier BV Elsevier, 2022, Vol. 53, p. 448-453Conference paper, Published paper (Refereed)
Abstract [en]
In the present study, we performed ab initio calculations for tin carbide codoped with (V,Mn), (V,Cu) and (V,Fe). The electronic and magnetic properties of tin carbide are calculated by means of density functional theory (DFT). The half metallic ferromagnetic behaviour of dual impurities VMnSnC, VFeSnC and VCuSnC is treated by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA). Our results evince that, the stability of ferromagnetism state was induced by the charge state of magnetic impurities, which room temperature ferromagnetic DMS based spintonic is realized. The exchange interactions are obtained from first principles calculations using an Ising model. Our calculation is supported by Monte Carlo simulation based on the heat bath algorithm. We have examined the effects of magnetic parameters for magnetization, internal energy and magnetic susceptibility.
Place, publisher, year, edition, pages
Elsevier BV Elsevier, 2022. Vol. 53, p. 448-453
Keywords [en]
KKR-CPA, Monte Carlo simulation, Codoped SnC, Spintronics, Ferromagnetism
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-474516DOI: 10.1016/j.matpr.2022.01.419ISI: 000782123100025OAI: oai:DiVA.org:uu-474516DiVA, id: diva2:1658473
Conference
NANOSMAT Mediterrane Conference, MAY 02-JUN 04, 2019, Fac Sci Rabat, Rabat, MOROCCO
Funder
Swedish Research Council, dnr-348-2011-72642022-05-162022-05-162024-01-15Bibliographically approved