The Preference of the Ferromagnetic Ordering for the Novel Heusler Rh 2 MnTi ${\text {Rh}}_{\text {2}}\text {MnTi}$ Compound

First principles study of electronic, elastic, optical and magnetic properties of Rh2MnX (X = Ti, Hf, Sc, Zr, Zn) Heusler alloys

“…Moreover, in Figures 3 and 4, the density of states plots either for spin down or spin up components display a non‐symmetrical picture due to a clear polarization between the density of states of these components. Especially, our results for electronic band structure and partial density of states of Rh 2 MnTi alloy are in good agreement with the findings of Reference [26].…”

“…So, it is apparent that all Rh 2 MnX alloys demonstrate metallic bonding. When compared with previous work of Reference [26], although the metallic behavior of Rh 2 MnTi alloys correlates well with their findings, our elastic constants, elastic moduli, and Vickers hardness ( H V = 0.92[ G / B ] 1.137 . G 0.708 ) data somewhat underestimate their findings for this alloy (Table 2).…”

“…Table 3 compares the calculated total magnetic moment ( μ B ) values of Rh 2 MnX alloys with several former results. Our obtained values for the magnitudes of μ B are in the range of Ti > Zr > Hf > Sc > Zn and this result compare well with the findings of References [25–27] with ferromagnetic ordering.…”

“…Also, when we compare our results with former results of References [27, 28] our elastic and mechanical data slightly overestimate the results of References [27, 28] (Table 2). Therefore, we can ensure that the differences between the results of this work and Reference [26] as well as References [27, 28] may mostly arise from the three distinct calculation methods.…”

“…However, although much effort has been spent on different types of Heusler alloys [21][22][23][24], it is still necessary to clarify and understand the basic physical aspects of these alloys. Despite the Rh 2 MnX (X = Ti, Hf, Sc, Zr, Zn) novel magnetic Heusler alloys are first reported by Stefano et al [25] in 2017, there is not still enough investigation on these alloys except the few works of References [26][27][28]. Therefore, in this work, to remove this inadequacy on fundamental physical properties significant Rh 2 MnX (X = Ti, Hf, Sc, Zr, Zn) Heusler alloys, we focused on the electronic, elastic, mechanical, optical and magnetic properties of these alloys to contribute to the lacking literature with systematic research.…”