Abnormal elasticity and lattice dynamics in the L10-FePd crystalline alloy at high pressure

التفاصيل البيبلوغرافية
العنوان: Abnormal elasticity and lattice dynamics in the L10-FePd crystalline alloy at high pressure
المؤلفون: Xinxin Zhang, Wei-Jiang Gong, Guo-liang Yu, Taimin Cheng
المصدر: Journal of Magnetism and Magnetic Materials. 510:166904
بيانات النشر: Elsevier BV, 2020.
سنة النشر: 2020
مصطلحات موضوعية: 010302 applied physics, Materials science, Magnetic moment, Condensed matter physics, Magnetism, Phonon, Alloy, 02 engineering and technology, engineering.material, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Electronic, Optical and Magnetic Materials, Condensed Matter::Materials Science, Ferromagnetism, 0103 physical sciences, engineering, Condensed Matter::Strongly Correlated Electrons, Elasticity (economics), 0210 nano-technology, Ground state, Spontaneous magnetization
الوصف: We have systematically explored the pressure dependence of magnetism, electronic structure, elasticity and lattice dynamics of the ferromagnetic L10-FePd crystalline alloy by employing first-principles calculations. All predicted properties of the ground state are well consistent with available experimental and theoretical results. The total magnetic moment decreases slowly with pressure before the ferromagnetic collapse critical pressure of about 164 GPa and then sharply decreases near the 164 GPa, and the (C44-C66) value changed from positive to negative. The phonon dispersion relations and phonon densities of state are also investigated at zero and high pressures. Owing to the spontaneous magnetization of the system, the ferromagnetic L10-FePd crystalline alloy is dynamically stable at pressures below 171 GPa (above which the magnetism completely disappears). When the pressure was greater than 171.4 GPa, the system dynamics became unstable. The calculated elastic properties indicate that the L10-FePd alloy is mechanically stable up to 180 GPa. The ferromagnetic L10-FePd crystalline alloy has good ductility and metallicity outside the ferromagnetic collapse pressure region, but the L10-FePd crystalline alloy has an abnormal phenomenon of a sudden sharp increase in brittleness near 162 GPa. We found this anomaly from the Pugh ratio B/G and Poisson's ratio of the system and the change of Cauchy pressures (C12-C66) and (C13-C44) with pressure, and this anomaly was analyzed with compression factor and magnetoelastic force.
تدمد: 0304-8853
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::04a1a2cd5e8c1f414bf8a2df5cdc18d9Test
https://doi.org/10.1016/j.jmmm.2020.166904Test
حقوق: CLOSED
رقم الانضمام: edsair.doi...........04a1a2cd5e8c1f414bf8a2df5cdc18d9
قاعدة البيانات: OpenAIRE