“…It is important to note that Pugh [93] specifically identifies that this relationship is not indented to predict ductility, but rather malleability. The common criteria above which ductile behavior is predicted is 1.75 [3, 14, 15, 16, 18, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 32, 35, 37, 39, 42, 44, 47, 49]. Fig.…”
Section: Main Textmentioning
confidence: 99%
“…There are also several works that reference mechanical properties which involve non-stoichiometric Heusler alloys. These works include modeling predictions of elastic properties as the chemistry moves from one stable alloy to another [14, 15, 16], as well as doping for improvement in giant magnetocaloric effect [17], thermoelectrics [5, 6], and magnetic shape memory alloys [7, 9, 18].…”
Heusler alloys have been a significant topic of research due to their unique electronic structure, which exhibits half-metallicity, and a wide variety of properties such as magneto-calorics, thermoelectrics, and magnetic shape memory effects. As the maturity of these materials grows and commercial applications become more near-term, the mechanical properties of these materials become an important factor to both their processing as well as their final use. Very few studies have experimentally investigated mechanical properties, but those that exist are reviewed within the context of their magnetic performance and application space with specific focus on elastic properties, hardness and strength, and fracture toughness and ductility. A significant portion of research in Heusler alloys are theoretical in nature and many attempt to provide a basic view of elastic properties and distinguish between expectations of ductile or brittle behavior. While the ease of generating data through atomistic methods provides an opportunity for wide reaching comparison of various conceptual alloys, the lack of experimental validation may be leading to incorrect conclusions regarding their mechanical behavior. The observed disconnect between the few available experimental results and the numerous modeling results highlights the need for more experimental work in this area.
“…It is important to note that Pugh [93] specifically identifies that this relationship is not indented to predict ductility, but rather malleability. The common criteria above which ductile behavior is predicted is 1.75 [3, 14, 15, 16, 18, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 32, 35, 37, 39, 42, 44, 47, 49]. Fig.…”
Section: Main Textmentioning
confidence: 99%
“…There are also several works that reference mechanical properties which involve non-stoichiometric Heusler alloys. These works include modeling predictions of elastic properties as the chemistry moves from one stable alloy to another [14, 15, 16], as well as doping for improvement in giant magnetocaloric effect [17], thermoelectrics [5, 6], and magnetic shape memory alloys [7, 9, 18].…”
Heusler alloys have been a significant topic of research due to their unique electronic structure, which exhibits half-metallicity, and a wide variety of properties such as magneto-calorics, thermoelectrics, and magnetic shape memory effects. As the maturity of these materials grows and commercial applications become more near-term, the mechanical properties of these materials become an important factor to both their processing as well as their final use. Very few studies have experimentally investigated mechanical properties, but those that exist are reviewed within the context of their magnetic performance and application space with specific focus on elastic properties, hardness and strength, and fracture toughness and ductility. A significant portion of research in Heusler alloys are theoretical in nature and many attempt to provide a basic view of elastic properties and distinguish between expectations of ductile or brittle behavior. While the ease of generating data through atomistic methods provides an opportunity for wide reaching comparison of various conceptual alloys, the lack of experimental validation may be leading to incorrect conclusions regarding their mechanical behavior. The observed disconnect between the few available experimental results and the numerous modeling results highlights the need for more experimental work in this area.
“…Some half-metallic ferromagnetic materials which can be considered as hybrids between semiconductors and metals are used in spintronic applications such as spin valves [4][5][6][7], spin lters [8], magnetic sensors [9,10], memory storages [11][12][13], and tunneling magnetoresistance effect [14][15][16][17]. Most representative halfmetallic materials belong to either Heusler alloys (full, half, as well as quaternary) [18][19][20][21][22][23][24][25] or dilute magnetic semiconductors [26][27][28][29][30] or transition metal oxides in different chemical compositions and structural types, such as perovskites [31][32][33][34] or double perovskites [35][36][37][38][39][40][41][42][43][44][45][46][47]. Another widely discussed scenario for d 0 dilute magnetic semiconductors is based on a quite unexpected effect of magnetization of non-magnetic matrix induced by nonmagnetic 2p im...…”
Double perovskite oxides have gained tremendous attention in material science and device technology due to their facile synthesis and exceptional physical properties. In this paper, we elucidate the origin of magnetization in non magnetic double perovskite oxides Sr2MSbO6 (M=Al, Ga) induced by non-magnetic 2p-impurities (C and N) substituted. The calculations were done within the full potential linearized augmented plane wave method (FP-LAPW) in the framework of the density functional theory (DFT). The exchange-correlation potential is evaluated using the generalized gradient approximation (GGA) of Perdew–Burke–Ernzerhof (PBE) and the modified Becke and Johnson (mBJ-GGA). Regarding structural properties of undoped double perovskites Sr2MSbO6 (M=Al, Ga), we found that the lattice constants and oxygen positions are in rational accord with the experimental results. Furthermore, both of the examined compounds are brittle in nature with isotropic character. For Sr2AlSbO6 we have got the values of energy gap equal to 1.9 eV and 3.7 eV within the GGA and the mBJ-GGA, respectively. However for Sr2GaSbO6 the values of energy gap obtained in GGA and mBJ-GGA are equal to 0.8 eV and 2.9 eV, respectively. Finally, spin-polarized calculations reveal that the doping C and N can lead to drastic changes in the magneto-electronic properties of the semiconducting Sr2MSbO6 matrix with the integer magnetic moment of 6.00 µB and exhibit half-metallic properties. The origin of ferromagnetism can be attributed to the spin–split impurity bands inside the energy gap of the semiconducting Sr2MSbO6 matrix. These results may help experimentalists in synthesizing new double perovskites for spintronic applications.
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