This paper concerns the elastic properties of Dy2Fe14B crystal investigated by ab-initio calculations. We determined the elastic constants of the considered crystal: C11 = 297, C12 = 92, C13 = 99, C33 = 287, C44 = 82, C66 = 80 GPa. Moreover, estimated from elastic constants physical properties (acoustic wave velocities, elastic moduli, Debye and melting temperature) are consistent with the reference data obtained for other (RE)2Fe14B crystals.
ChrobakA.ZiółkowskiG.RandrianantoandroN.KlimontkoJ. and HaneczokG., Phase structure and magnetic properties of Fe–Nb–B–Tb type of bulk nanocrystalline alloys, J. Alloys Comp.537 (2012), 154–158.
2.
ChrobakA.ZiółkowskiG.RandrianantoandroN.KlimontkoJ.ChrobakD.PrusikK. and RakJ., Ultra-high coercivity of (Fe86−xNbxB14)0.88Tb0.12 bulk nanocrystalline magnets, Acta Materialia98 (2015), 318–326.
3.
ZiółkowskiG.ChrobakA.KlimontkoJ.ChrobakD.ZivotskyO.HendrychA. and RakJ., High coercivity in Fe–Nb–B–Dy bulk nanocrystalline magnets, Phys. Status Solidi A213 (2016), 2954–2958.
4.
TurilliG.SzymczakH. and LachowtczH.K., Elastic Constants of the (RE)2Fe14B Tetragonal Compound (RE = Y, Nd, and Pr), Phys. Stat. Sol. (A)90 (1985), K143–K146.
MonkhorstH.J. and PackJ.D., Special points for Brillouin-zone integrations, Phys. Rev. B.13 (1976), 5188–5192.
7.
PerdewJ.P. and WangY., Accurate and simple analytic representation of the electron-gas correlation energy, Phys. Rev. B45 (1992), 13244–13249.
8.
HerbstJ. F. and YelonW. B., Accurate and simple analytic representation of the electron-gas correlation energy, J. Appl. Phys.57 (1985), 2343–2345.
9.
KitagawaI., Calculation of electronic structures and magnetic moments of Nd2Fe14B and Dy2Fe14B by using linear-combination-of-pseudo-atomic-orbital method, J. Appl. Phys.105 (2009), 07E502(3pp).
10.
ReshakA.H. and JamalM., DFT Calculation for Elastic Constants of Tetragonal Structure of Crystalline Solids with WIEN2k Code: A New Package (Tetra-elastic), Int. J. Electrochem. Sci.8 (2013), 12252–12263.
11.
HirosawaS.MatsuuraY.YamamotoH.FujimuraS.SagawaM. and YamauchiH., Magnetization and magnetic anisotropy of R2Fe14B measured on single crystal, J. Appl. Phys59 (1986), 873–879.
12.
MouhatF. and CoudertX., Necessary and sufficient elastic stability conditions in various crystal systems, Phys. Rev. B90 (2014), 224104(4pp).
13.
KuboA.WangJ. and UmenoY., Development of interatomic potential for Nd–Fe–B permanent magnet and evaluation of magnetic anisotropy near the interface and grain boundary, Modelling Simul. Mater. Sci. Eng.22 (2014), 065014(14pp).
14.
AndersonO.L., A simplified method for calculating the Debye temperature from elastic constants, J. Phys. Chem. Solids24 (1963), 909–917.
15.
SiethoffH., Debye temperature, self-diffusion and elastic constants of intermetallic compounds, Intermetallics5 (1997), 625–632.
16.
FineM.E.BrownL.D. and MarcusH.L., Elastic constants versus melting temperature in metals, Scr. Metall.18 (1984), 951–956.
17.
SchneiderG.HenigE.-T.GriebB. and KnochG., Phase equilibria in Fe-Nd-B and related systems and microstructure of sintered Fe-Nd-B magnets, in: Concerted European Action on Manets, Elsevier, 1989, pp. 335–357.
