Powder x-ray diffraction study of the thermoelastic martensitic transition in Ni 2 Mn 1.05 Ga 0.95 Rajeev Ranjan, 1 S. Banik, 2 S. R. Barman, 2 U. Kumar, 3 P. K. Mukhopadhyay, 3 and Dhananjai Pandey 1 1 School of Materials Science and Technology, Institute of Technology, Banaras Hindu University, Varanasi-221005, India 2 UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore, 452017, Madhya Pradesh, India 3 LCMP, S. N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake, Kolkata, 700098, West Bengal, India Received 24 January 2006; revised manuscript received 8 November 2006; published 29 December 2006 Results of temperature-dependent magnetic susceptibility and powder x-ray diffraction XRDmeasure- ments on Ni 2 Mn 1.05 Ga 0.95 and Ni 2.13 Mn 0.87 Ga magnetic shape memory alloys are compared. The transforma- tion behavior of these two alloys is found to be entirely different. Detailed LeBail and Rietveld analyses of powder XRD data of Ni 2 Mn 1.05 Ga 0.95 alloy show that the martensite phase belongs to the Pnnm space group with 7M modulation. The limits of the supercooled austenite and the superheated martensite phases have been determined by Rietveld analysis of powder XRD data recorded at close temperature intervals. It is shown that the martensite and the austenite phases coexist over 30 K temperature range around the martensitic transition temperature. The transformation strains during cooling in 001, 010, and 100directions are found to be -4%, +1.6%, and 2.1%, respectively, while the volume change is only 0.06%. DOI: 10.1103/PhysRevB.74.224443 PACS numbers: 75.50.Cc, 64.70.Kb, 81.30.Kf I. INTRODUCTION Currently there is enormous interest in the Ni-Mn-Ga magnetic shape memory alloy SMAsystem close to its stochiometric composition, i.e., Ni 2 MnGa, because of its unique magnetoelastic properties. 1 Observation of magnetic- field-induced strains of 10% in this alloy system 2 makes it technologically much more promising for magnetomechani- cal actuator devices than other materials presently being used commercially. For example, the well known Tb-Dy-Fe alloy system Terfenol-Dexhibits magnetostrictive strains of about 0.1% only. Similarly, the present day piezoelectric ce- ramics exhibit maximum strains up to 0.2%. 3 The crystal structure of the parent austenite phase in the stoichiometric Ni 2 MnGa compound is known to be cubic in the Fm3 ¯ m space group with L2 1 Heusleratomic order. 1 It shows fer- romagnetic ordering on cooling below T C 370 K. 1 On fur- ther cooling, it exhibits a premartensitic phase transition around 250 K, which has been attributed to the coupling of a soft transverse acoustic TA 2 phonon at q = 1/3,1/3,0with the homogeneous deformation associated with Zener elastic constant c' = c 11 - c 12 /2. 46 Finally, on cooling below T m =210 K, it undergoes a thermoelastic martensitic phase transition. 1 Electronic structure calculations show a peak in the density of states at the Fermi level, which splits due to the redistribution of the electrons around the Fermi level in the martensite phase. 7 The number of the martensite phases, their structures, and the sequence of their occurrence in the Ni-Mn-Ga system depend on the stoichiometry. 811 Chernenko et al. 8 have clas- sified Ni-Mn-Ga ferromagnetic shape memory alloys into three groups based on their martensitic transition tempera- tures. Group I alloys, which are nearly stoichiometric, ex- hibit low martensitic transition temperatures as compared to the Curie temperature. This group of alloys also shows a premartensitic transition. Group II alloys have martensitic transition around room temperature but still below Curie temperature. These alloys usually exhibit stress and ther- mally induced intermartensitic transition also. Giant magnetic-field-induced strain is a common feature of these alloys. The group III alloys exhibit martensitic transition above the Curie temperature. The three well-known martensite phases in this alloy sys- tem are traditionally referred to as 5M,7M, and nonmodu- lated or NMphases. The 5M and 7M phases correspond to five-layer and seven-layer modulations of the 110 A planes in 11 ¯ 0 A direction, where the subscript A stands for the austenite phase. 12 The proposed modulations are based on the observation of the number of extra diffraction spots be- tween the two parent phase spots along reciprocal lattice rows parallel to one of the 110 A directions on the electron diffraction patterns 10,13 and single-crystal x-ray oscillation photographs. 1113 The cubic lattice has been reported to be distorted tetragonally with c / a 1 in the 5M phase, 1 orthor- hombically in the 7M Refs. 1 and 12and tetragonally with c / a 1 for the NM phase. 14 The difference in the martensitic transition temperatures and the magnetoelastic properties of the three groups of alloys in the Ni-Mn-Ga system is be- lieved to be due to the difference in the crystal structure of the martensite phases. 15,16 There is therefore considerable in- terest in understanding the structure of the Ni-Mn-Ga alloy system as a function of composition. The splitting of the austenite 220 and the 400 peaks into two or three peaks has generally been interpreted in terms of “tetragonal” 1,17 or “orthorhombic” 13,17 distortions with 5M or 7M modulations, respectively. Wedel et al. 14 have as- signed I4/ mmm and Fmmm space groups to the so-called tetragonally and orthorhombically distorted martensites. Nei- ther of these two space groups has, however, been tested by comparing the observed and the calculated diffracted inten- sities for the martensite phases. Recently, an attempt 17 has been made to index the x-ray diffraction XRDpeaks of the martensites of an alloy composition of the group II using these two space groups. However, a perusal of the hkl Miller indices given in this work 17 clearly shows that these are not consistent with the I- and F-centered lattices. The only space group that has been tested by comparing the calculated and observed intensities is Pnnm for the premartensite and mar- PHYSICAL REVIEW B 74, 224443 2006 1098-0121/2006/7422/2244438©2006 The American Physical Society 224443-1