Table 2 Computed energy differences ΔE = EB2 − EB19/B19′ (in meV/atom) in binary NiTi, compared with other first-principles studies.

From: Martensitic transformation of Ti50(Ni50−xCux) and Ni50(Ti50−xZrx) shape-memory alloys

ΔE

Present calc.

Other calc.43

Other calc.44

EB2 − EB19

29.95

30.07

28.57

EB2 − EB19′

40.39

41.91

39.46

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