4. Conclusions

In this work, we addressed the electronic, elastic, mechanical, optical and magnetic properties of Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys by employing DFT with CASTEP code. From the attained results of this study, we can draw and summarize the following conclusions:
  1. According to our obtained elastic data Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys are mechanically stable.
  2. As another significant finding of our elastic constants data, Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys show ductile mechanical character.
  3. Vickers’s hardness scale of the surveyed alloys follows the order of Ti> Sc> Zr> Hf> Zn.
  4. The analysis of Poisson’s ratios of these alloys denotes that Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys have metallic bonding.
  5. The calculated spin up (↑) and spin down (↓) electronic bands are composed of intersecting valence and conduction bands which is another clear proof of the metallic behavior of Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys. Electronic band structures also reveal the existing conductivity of Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys mostly emerges from the large d-electron contributions of these alloys.
  6. Optical properties data also support and agree with the results of elastic and electronic band structure findings of Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys with typical metallic conductivity and loss function peaks.
    7. All Rh2MnX alloys exhibit strong ferromagnetic ordering. follow Total magnetic moment (µB)         rank is Ti > Zr > Hf > Sc > Zn and vary from µB = 3.40 to 4.82. Our results for µB are also         reasonable with prior theoretical data of Rh2MnX (X=Ti, Hf, Sc, Zr, Zn) Heusler alloys.