Influence of spin reorientation on magnetocaloric effect in NdAl 2 : A microscopic model P. J. von Ranke, 1, * N. A. de Oliveira, 1 C. Mello, 1 D. C. Garcia, 1 V. A. de Souza, 1 and A. Magnus G. Carvalho 2 1 Instituto de Física, Universidade do Estado do Rio de Janeiro—UERJ, Rua São Francisco Xavier, 524, 20550-013, Rio de Janeiro, Brazil 2 Instituto de Física ‘Gleb Wataghin,’ Universidade Estadual de Campinas—UNICAMP, Caixa Postale. 6165, Campinas 13 083-970, São Paulo, Brazil Received 23 May 2006; published 21 August 2006 We report a theoretical investigation about the influence of the spin reorientation from easy magnetic direction 001to the applied magnetic field direction 111on the magnetocaloric properties of NdAl 2 . This compound was fully investigated using a model Hamiltonian which includes the Zeeman-exchange interactions and the crystalline electrical field, which are responsible for the magnetic anisotropy. All theoretical results were obtained using the proper model parameters for NdAl 2 , found in the literature. The existence of a minimum in magnetic entropy change below the phase transition was predicted and ascribed to the strong jump on the spin reorientation. DOI: 10.1103/PhysRevB.74.054425 PACS numbers: 75.30.Sg, 75.10.Dg, 75.20.En INTRODUCTION In the last ten years much efforts have been dedicated to the development of new magnetocaloric materials due to the broad interest which runs from technologic applications, such as magnetic refrigeration that is based on the magneto- caloric effect, to the pure physical theoretical interest, such as several types and nature of phase transitions. 1 The mag- netocaloric potential in given magnetic material is character- ized by the two main thermodynamics quantities, namely S mag the isothermal magnetic entropy changeand T ad the adiabatic temperature change, which are observed upon changes in the external magnetic field. The experimental dis- covery of giant magnetocaloric effect around room tempera- ture in some magnetic materials such as Gd 5 Si x Ge 1-x 4 , 2 MnFeP 0.45 As 0.55 , 3 MnAs 1-x Sb x , 4,5 and LaFe 1-x Si x 13 , 6,7 and its hydrides enhanced the interest in magnetocaloric effect due to the potential applications of these materials to work as refrigerant materials in magnetic refrigeration at room tem- perature. The potential application of a near-room tempera- ture magnetic refrigerator was firstly reported by G. V. Brown. 8 The first theoretical descriptions, using a phenom- enological model and in which the magnetic state equations were solved self-consistently and applied to the giant mag- netocaloric materials Gd 5 Si x Ge 1-x 4 , MnFeP 0.45 As 0.55 , and MnAs 1-x Sb x , were reported by some of us Refs. 911. The signature of giant magnetocaloric materials is the abrupt change in the order parameter, magnetization, at Curie tem- perature first-order magnetic phase transition, which is coupled to crystallographic phase transition or a high change in lattices parameters. More recently the experimental and theoretical investigations led to the discovery of the colossal magnetocaloric effect where the lattice entropy plays funda- mental role in order-disorder magnetic process due to the magnetoelastic interaction. 1214 Another important aspects of magnetocaloric materials is concerned with the magnetic anisotropy effects which leads, for example, to different behaviors for temperature and mag- netic field dependence of the magnetization for different choices of applied magnetic field direction in crystallo- graphic referential frame. Since the magnetocaloric potential quantities, S mag and T ad , depend on the magnetization re- sponse to the applied magnetic field change, the choice of the applied magnetic field direction in the crystal, in an aniso- tropic magnetic material, leads to different values for S mag and T ad . We are interested in the anisotropy caused, in rare earth intermetallic compounds due to the crystalline electri- cal field CEFinteraction. In rare-earth the CEF interaction, in general, destroys the magnetic symmetry due to the total or partial break of 2J +1-times degenerated 4 f Hund’s ground states. As a consequence, some interesting physical effects can appear—for example, the pure paramagnetic PrNi 5 compound cools down when submitted to external magnetic field in an adiabatic process below 14 K for mag- netic field change from 0 to 5 T the so-called anomalous MCE. Therefore, as far as we know, PrNi 5 is the only para- magnetic system that has its magnetic entropy increased with the magnetic field, and this anomaly could be quantitatively explained by the CEF anisotropy effects. 15,16 Recently, ex- perimental measurements of ferromagnetic single-crystal DyAl 2 showed anomalous magnetocaloric effect when the external magnetic field change is considered along the 111 crystallographic direction, 17 confirming the previous theoret- ical prediction 18 based on the study of CEF anisotropy of this material. In this paper, we present the theoretical results of a full investigation on the magnetic and magnetocaloric properties of NdAl 2 considering the magnetic field change along the three main crystallographic directions, namely 001the easy magnetic direction, 101, and 111. We started with the microscopic model where the interactions included in the magnetic model Hamiltonian are ithe Zeeman interaction, iithe exchange interaction in the molecular field approxi- mation, and iiithe cubic CEF anisotropic interaction. The lattice entropy was treated in the Debye assumptions. From the Hamiltonian, the magnetic state equation is obtained and the temperature and field dependence of magnetization are calculated, self-consistently, in the three main directions. When the magnetic field is applied in the 111direction, a predicted critical temperature T R 50 K, is calculated at PHYSICAL REVIEW B 74, 054425 2006 1098-0121/2006/745/0544256©2006 The American Physical Society 054425-1 brought to you by CORE View metadata, citation and similar papers at core.ac.uk provided by Repositorio da Producao Cientifica e Intelectual da Unicamp