Seema, “ The effect of pressure and disorder on half-metallicity of CoRuFeSi quaternary Heusler alloy,” Intermetallics 110, 106478 (2019). Abbouni et al., “ Ab-initio prediction of intrinsic half-metallicity in binary alkali-metal chalcogenides: KX (X = S, Se and Te),” Spin 08, 1850020 (2018). Li, “ First-principles study on electronic structure, magnetism and half-metallicity of the NbCoCrAl and NbRhCrAl compounds,” Results Phys. Khandy, “ First principles understanding of structural electronic and magnetic properties of new quaternary Heusler alloy: FeVRuSi,” Mater.
Half heusler phono dispersio full#
Laref, “ Full Heusler alloys (Co 2TaSi and Co 2TaGe) as potential spintronic materials with tunable band profiles,” J. Luo, “ Electronic and mechanical properties of half-metallic half-Heusler compounds CoCrZ (Z = S, Se, and Te),” Chin. Hori, “ Magnetic and transport characteristics on high Curie temperature ferromagnet of Mn-doped GaN,” J. Kashyap, “ Variation of half metallicity and magnetism of Cd 1-xCr xZ (Z= S, Se and Te) DMS compounds on reducing dilute limit,” J. Delley, “ Half-metallic ferromagnetism in Cu-doped ZnO: Density functional calculations,” Phys. Gupta, “ Electronic structure, magnetism and thermoelectricity in layered perovskites: Sr 2SnMnO 6 and Sr 2SnFeO 6,” J. Laref, “ Electronic structure, mechanical and thermodynamic properties of BaPaO 3 under pressure,” J. de Leeuw, “ Ab initio investigation of the thermodynamics of cation distribution and of the electronic and magnetic structures in the LiMn 2O 4 spinel,” Phys. Min, “ Half-metallic electronic structures of giant magnetoresistive spinels: Fe 1-xCu xCr 2S 4 (x=0.0,0.5,1.0),” Phys. Haq, “ Ab-initio study of electronic, magnetic and thermoelectric behaviors of LiV 2O 4 and LiCr 2O 4 using modified Becke-Johson (TB-mBJ) potential,” Phys. Pickett, “ Half-metallic semi-Dirac-point generated by quantum confinement in TiO 2/VO 2 nanostructures,” Phys. Schwarz, “ Cro 2 predicted as a half-metallic ferromagnet,” J. Laref, “ Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors,” Sci. Şaşıoğlu, “ Spin-filter and spin-gapless semiconductors: The case of Heusler compounds,” AIP Adv. De Groot, “ Origin of the difference in the magneto-optical Kerr effect between PtMnSb and NiMnSb,” Phys. Parkin, “ Origin of the tetragonal ground state of Heusler compounds,” Phys. Papanikolaou, “ Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys,” Phys. Present investigations certainly allow the narrow bandgap, spin polarization, and high PF values to be looked upon for suitable applications in thermoelectrics and spintronics. The room temperature PF values of FeRhCrSi and FeRhCrGe compounds are 2.3 μW/cm K 2 and 0.83 μW/m K 2, respectively. Besides, the conservative estimate of relaxation time speculated from the experimental conductivity value is 0.5 × 10 −15 s. The large power factors (PFs) of the two investigated alloys are in contour with those of the previously reported Heusler compounds. The Debye temperatures of FeRhCrSi and FeRhCrGe alloys are predicted to be 438 K and 640 K, respectively, based on elastic and thermal studies. Their strength and stability with respect to external pressures are determined by simulated elastic constants. From the electronic structure simulations, both FeRhCrZ (Z = Si and Ge) alloys at their equilibrium lattice constants exhibit half-metallic ferromagnetism, which is established from the total magnetic moment of 3.00 μB, and that the spin moment of FeRhCrGe is close to the experimental value (2.90 μB). These are known as “inverse” Heuslers.Computer simulations within the framework of density functional theory are performed to study the electronic, dynamic, elastic, magnetic, and thermoelectric properties of a newly synthesized FeRhCrGe alloy and a theoretically predicted FeRhCrSi alloy. A third Heusler family with formula unit A 2BC (similar to the “full”-Heuslers) consists of alloys that can be viewed as “AB” layers alternating with “AC” layers as shown in Figure 1c. These are known as “half”-Heuslers or semi-Heuslers. A related Heusler family has members with formula unit ABC in which half of the “A” atoms of the full-Heusler are replaced by vacancies as shown in Figure 1b. Thus members of this Heusler family with formula unit A 2BC (known as “full”-Heuslers) can be viewed as layers consisting of a square lattice of “A” atoms alternating with layers of “B” and “C” atoms as shown in Figure 1a. The structure of the alloys was later found to be fcc with a 4 atom basis consisting of a single formula unit. These alloys were interesting because some of them were ferromagnetic even though their constituent atoms were non-ferromagnetic as elements. Heusler alloys are named for the German mining engineer and chemist Friedrich Heusler who investigated Cu-Mn-Al alloys around 1900.
0 kommentar(er)
