Structural, mechanical, thermal, and optical properties of inverse-Heusler alloys Cr2CoZ (Z = Al, In): A first-principles investigation

Ultra-violet to visible band gap engineering of cubic halide KCaCl3 perovskite under pressure for optoelectronic applications: insights from DFT

“… 78 The fundamental mechanical properties, namely Pugh's ratio ( B / G ), Poisson's ratio ( ν ), and anisotropy factor ( A ) are calculated using the expressions in the previous literature. 79 The calculated B , G , E , B / G , ν , and A are listed in Table 4 having almost similar values with previously studied halide perovskites CsXCl 3 (X = Sn, Ge, Ca). 45,48,80 The value of B , G , and E increase as the applied pressure is increased, indicating that applying hydrostatic pressure incorporates the hardness, stiffness, and higher resistance to KCaCl 3 against tensile deformation under high pressure.…”

Phase Equilibria in the Al-Cr-Co System in the Range of Compositions 0-70 at.% Al

“…[18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33] In recent years, researchers have also focused on the Cr 2 CoAl inverse Heusler phase. [34][35][36][37][38][39][40] It was noted by Jamer et al [35] that synthesizing half-metallic fully compensated ferrimagnets which form in the inverse Heusler phase could lead to superior spintronic devices, and these materials would have high spin polarization at room temperature with very little fringing magnetic fields.…”

Focusing on Some Physical Properties of Li2TlIn: an Ab Initio Study

“…These structures can be semiconductors, metals, topological insulators or semi-metals (Chen & Ren, 2013). There are many studies in the literature that full Heusler compounds are suitable materials for optoelectronic (He et al, 2016), shape memory (Blum et al, 2011), spintronic applications (Bosu et al, 2011;Lei et al, 2011;Galehgirian & Ahmadian, 2015) and thermal barrier coatings (Rasheduzzaman et al, 2021). Therefore, half Heusler (Gupta et al, 2019(Gupta et al, , 2020(Gupta et al, and 2021 or full Heusler type compounds or alloys have been the subject of researches (Gupta et al, 2022).…”