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Ab initio Phonons in Magnetic Ni2MnAl

In the present work we report the results of ab initio studies of electronic and dynamic properties of nickel based Heusler alloy Ni2MnAl. The total magnetic moment and elastic constants were also evaluated and compared to experimental results where possible. We found that the phonon dispersion relations calculated in this work within the linear response method did not reveal any softening of the transversal acoustic mode TA2 along [ξ, ξ, 0] direction in accordance with the experiment and in controversy to previous theoretical studies.