2009
DOI: 10.1103/physrevlett.102.035702
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Understanding the Phase Transitions of theNi2MnGaMagnetic Shape Memory System from First Principles

Abstract: The free energies of the austenite, the (modulated) premartensite and the unmodulated martensite of Ni2MnGa are determined using density functional theory and including quasiharmonic phonons and fixed-spin-moment magnons. This approach very well reproduces the complete phase sequence (martensite<-->premartensite<-->austenite) of stoichiometric Ni2MnGa as a function of temperature. By analyzing the relevant free energy contributions, we also understand the delicate interplay of phonons and magnons driving both … Show more

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Cited by 150 publications
(109 citation statements)
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“…By contrast, our permeability measurements showed a small dip at the premartensitic transition, and the linear strain and permeability exhibited clear variations for the x = 0.15 alloy. Uijttewaal et al [43] state that the contributions of both magnons and phonons to the free energy of premartensite and austenite only "slightly differ" and that the existence of the premartensitic transition results from a delicate interplay between the vibrational and magnetic excitation mechanisms. We considered that the clear variation in the linear strain indicates lattice deformation and a softening of the lattice.…”
Section: Resultsmentioning
confidence: 99%
“…By contrast, our permeability measurements showed a small dip at the premartensitic transition, and the linear strain and permeability exhibited clear variations for the x = 0.15 alloy. Uijttewaal et al [43] state that the contributions of both magnons and phonons to the free energy of premartensite and austenite only "slightly differ" and that the existence of the premartensitic transition results from a delicate interplay between the vibrational and magnetic excitation mechanisms. We considered that the clear variation in the linear strain indicates lattice deformation and a softening of the lattice.…”
Section: Resultsmentioning
confidence: 99%
“…3 In contrast, an accurate and complete ab initio description of temperature-driven transitions is still in its infancy even for simple elementary metals. Corresponding studies are rare 4,5 and a reliable extension to complex materials will only be feasible upon major advances in the field.…”
Section: Pacs Numbersmentioning
confidence: 99%
“…Magnetism plays a key role in the stability of the austenite phase towards further transitions, demonstrating that a strong magneto-elastic interaction is necessary for the induction of the intermediate phase in Ni50Mn25Ga25 [24][25][26]. Additionally, the increase of the atomic order degree stabilizes the structural phase exhibiting a higher magnetic moment, as a result of the effect of the magnetic exchange coupling variations on the free energy difference between the austenite and martensite phases [27].…”
Section: Introductionmentioning
confidence: 99%