2022
DOI: 10.1016/j.jpcs.2022.110600
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Structural stability, electronic, magnetic and thermoelectric properties for half-metallic quaternary Heusler alloys CrLaCoZ

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Cited by 26 publications
(7 citation statements)
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“…. According to our bibliographic research, we did not find enough results to make a comparison with our calculations, except for the CrCoLaGa material in reference [43]. We found that the value of the lattice parameter of this compound in this reference is in good agreement with our result.…”
Section: Iii-1 Structural Propertiessupporting
confidence: 48%
See 1 more Smart Citation
“…. According to our bibliographic research, we did not find enough results to make a comparison with our calculations, except for the CrCoLaGa material in reference [43]. We found that the value of the lattice parameter of this compound in this reference is in good agreement with our result.…”
Section: Iii-1 Structural Propertiessupporting
confidence: 48%
“…Several studies on quaternary Heusler alloys can be found in the literature. As an example, we cite the CrLaCoZ alloys (Z = Al, Ga, In, Ge, Sn, Pb) studied by Liu [27], who found that these compounds are half-metals obeying the Slater-Pauling rule. Priyanka and.…”
Section: Introductionmentioning
confidence: 99%
“…The cohesion energy ( E coh ), pivotal in forecasting structural stability at the ground state, quantifies the magnitude of the bonding force among atoms within materials. This cohesion energy, E coh , for these compounds, is derived using the subsequent expression, 24–28,37 where E tot is the equilibrium total energy per formula unit of ScXGe (X = Mn and Fe), are the sum of energies of isolated Sc, Mn, Fe, and Ge atoms respectively and N is the number of atoms in the unit cell. This is the amount of energy required to break down a crystal into fragments, and it is a measure of both the bond strengths and the mobility of the atoms within the crystal.…”
Section: Resultsmentioning
confidence: 99%
“…Figure 3(a) plots the exchange coupling parameters (J ij ) with Mn at the center up to 5 units of lattice parameter. The oscillating nature of J ij indicates the presence of indirect exchange through RKKY interaction, where the magnetic exchange is mediated by conduction electrons [41,42]. We can observe competing ferromagnetic and antiferromagnetic interactions up to about the 7th nearest neighbour (NN), after which the interaction eventually dies out.…”
Section: Structural and Magnetic Propertiesmentioning
confidence: 99%