ﻻ يوجد ملخص باللغة العربية
Physically parallel to ferroelectric morphotropic phase boundary, a phase boundary separating two ferromagnetic phase of different crystallographic symmetries was found in TbxDy1-xCo2. High-resolution synchrotron XRD has been carried out to offer experimental evidence for TbxDy1-xCo2. It has been proved that TbxDy1-xCo2 (0.6<x<0.7) is a morphotropic phase boundary and that the crystal structures of tetragonal (x<0.6) and rhombohedral (x>0.7) phase is distorted from a Laves Phase. Here, a first principles calculation provides a theoretical explanation on the origin of MBP in TbxDy1-xCo2 and is also provided for the question of why MPB occurs in TbxDy1-xCo2 alloys.
Morphotropic phase boundaries (MPBs) show substantial piezoelectric and dielectric responses, which have practical applications. The predicted existence of MPB in HfO2-ZrO2 solid solution thin film has provided a new way to increase the dielectric pr
The properties of newly discovered polar ScFeO3 with magnetic ordering are examined using Ab initio calculations and symmetry mode analysis. The GGA+U calculation confirms the stability of polar R3c Phase in ScFeO3 and the pressure induced phase tran
We investigate relative stability, structural properties and electronic structure of various modulated martensites of the magnetic shape memory alloy Mn$_{2}$NiGa by means of density functional theory. We observe that the instability in the high-temp
Temperature dependent structural changes in a nearly pure monoclinic phase composition (x=0.525) of Pb(Zr_xTi_1-x)O_3 (PZT) have been investigated using Rietveld analysis of high-resolution synchrotron powder x-ray diffraction data and correlated wit
Two-dimensional polarity is intriguing but remains in the early stage. Here a structural evolution diagram is established for GeS monolayer, which leads a noncollinear ferrielectric $delta$-phase energetically as stable as the ferroelectric $alpha$-p