Abstract
The electronic structures and magnetic properties of full-Heusler alloy Ti2CoSi with Hg2CuTi-type have been investigated by first-principles calculations. The compound is predicted to be a potential half-metal ferromagnet. The calculations show that there is an energy gap in the minority spin of the band structures whereas the other spin is strongly metallic, which results in a complete spin polarization of the conduction electrons at the Fermi level. The compound has a total magnetic moment of-3.0μB per unit cell on first-principles calculations which is in excellent agreement with the SlaterPauling (SP) rule. The magnetic moments of Ti(A) atom and Ti(B) atom which are both larger than that of atom Co(C) are different. This difference comes from different atom coordination surroundings of Ti(A) and Ti(B) atoms in crystal structure.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
