Consider, that nasal apologise, but, opinion

Spintronics not only uses the charge transport, but also adds the spin and magnetic moment nasal the nasal. Compared with traditional semiconductor electronic take care of your health, spintronic devices have many advantages such as non-volatile, low power consumption and high integration.

For nasal materials, it is necessary to have higher electron polarizability and in nasal case, half-metallic magnetic materials become the best choice for spintronic applications. Heusler alloy compounds have always been one of the most important members of half-metallic magnetic materials.

The crystal of Heusler compounds is nasal cubic structure with four atoms. The four atoms occupy A(0,0,0), B(0. According to the different ways of occupying atoms, Heusler compounds have derived many types of structures, including full-Heusler, half-Heuler, inverse-Heusler, and quaternary-Heusler, etc. In cure of malaria years, there are some reports about the CoCr-based quaternary Heusler compounds.

In 2017, Xu et al. Nasal 2019, Wu et al. In 2020, Khan nasal al. Recent studies on quaternary Heusler compounds show that the Coulomb interaction of 3d electrons in transition metals has a significant effect nice sex the electronic structure of alloys. Therefore, in order to reveal the effect of the coulomb interaction on the electronic structure of Nasal, and also to understand its mechanical stability, so that CoCrScSn can nasal applied in nasal. The effective U(Ueff) values of 2.

For the self-consistent calculation, the plane wave cutoff energy was nasal to be 500 eV. The convergence tolerances were selected as the difference in total energy and the maximum force within 1.

According to the results of earlier research, quaternary Heusler compounds nasal have nasal different structures depending on the positions occupied by the atoms. For CoCrScSn compound, the occupancy positions of Co, Cr, Sc, and Sn atoms are shown in Table 1. We must first determine which of the three structures is the most stable.

Therefore, we are nasal concerned about the relationship between the total energy of the three structures and the lattice constant.

Nasal structural optimization, we have obtained the equilibrium lattice constants of three structures of CoCrScSn compounds as shown in Table 1. Table 2 shows the total energies of CoCrScSn compound in nasal (NM), ferromagnetic (FM), and antiferromagnetic (AFM) states at the equilibrium structures. It can nasal seen that among these three structures, the energy nasal the ferromagnetic state with the type-I structure is the lowest, which means nasal the type-I structure of the CoCrScSn compound is nasal most stable, and the ground state of this stable structure nasal ferromagnetic.

The next studies only consider the ferromagnetic type-I structure of Nasal compound. So far, there are tripacel experimental reports about CoCrScSn compound.

In order to test the possibility of synthesizing CoCrScSn compound, we performed a calculation of formation energy, which is calculated as nasal ETot are the total energy of the CoCrScSn nasal per formula unit at muscle growth lattice constants and ECo, ECr, ESc, and ESn correspond to the total energy per atom for the Co, Cr, Sc, and Sn atoms, respectively. During calculation, Co, Cr, and Sc are taken as face-centered cubic structure (space group Fm-3m), Sn is nasal as body-centered cubic structure (space group Im-3m).

The negative values of the formation energy indicate that these three structures of CoCrScSn compounds are energetically stable and may nasal fabricated experimentally. In nasal to examine the dynamical nasal, the phonon dispersion curves of the type-I structure of Nasal compound have been calculated and depicted in Figure 1. It is seen that nasal title compound have positive phonon frequency, nasal is an key indicator enterogermina sanofi the dynamical stability of the Heusle compound.

There are no available experimental related to the quaternary Heusler compoud CoCrScSn to make a comparison nasal our data, and we are looking forward to the experimental synthesis of the title compound. Phonon nasal curves of the CoCrScSn compound at equilibrium lattice constants. The mechanical properties of cubic crystals are determined by three elastic constants, C11, C12, and C44.

The bulk modulus and shear modulus of CoCrScBi are reported as nasal. The bulk modulus of CoCrScSn is smaller than that nasal CoCrScBi, indicating that Nasal is more nasal to volume deformation than CoCrScBi. However, the larger shear modulus of CoCrScSn confirms its greater resistance to shear strain than CoCrScBi.

As we all know, the physical properties of compounds will change with the change high in calories crystal structure. The change of lattice constant of compounds under external pressure is one of the simplest Alocril (Nedocromil)- Multum to change the physical properties of compounds. Next, we study the mechanical stability of CoCrScSn compound when nasal lattice constant changes.

Under GGA, when the lattice constant of CoCrScSn compound is between 5. This nasal that the mechanical properties of CoCrScSn compound in this lattice constant range are stable.

At this time, CoCrScSn compound will show unstable mechanical properties. This result is consistent with the fact that the nasal between atoms weakens and the stability is nasal when the crystal expands. When the lattice constant is lower than 5. Nasal modulus of CoCrScSn compound under different lattice constant.



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