Physical properties of a novel boron-based ternary compound Ti2InB2

DFT insights into new B-containing 212 MAX phases: Hf2AB2 (A = In, Sn)

“…The obtained values of H v of Hf 2 AB 2 (A = In, Sn) are listed in Table 3. Like the elastic moduli, the H v of Ti 2 InB 2 (~ 4.05 GPa) as reported by Ali et al [64] lies in between 3.94 GPa (Hf 2 InB 2 ) and 4.41 GPa (Hf 2 SnB 2 ). The Vickers hardness is also greater for Hf 2 AB 2 (A = In, Sn) compared to those of Hf 2 AC (A = In, Sn).…”

“…The existence of much stronger B-B bonding can also be observed from the values of the individual bond hardness in Table 3. Ali et al [64] also reported the higher hardness values for Ti 2 InB 2 (4.05 GPa) compared to Ti 2 InC (2.60 GPa).…”

DFT insights into the electronic structure, mechanical behaviour, lattice dynamics and defect processes in the first Sc-based MAX phase Sc2SnC

“…The details of this model are found in a recent literature 56 . The room temperature lattice thermal conductivity of Sc2SnC and other M2SnC phases are listed in Table S6 and their temperature dependency is shown in Fig.…”

Physical properties of predicted MAX phase borides Hf2AB (A = Pb, Bi): A DFT insight

“…Racklet al [36,37] have synthesized the M 2 SB (Zr, Hf and Nb) MAX phase borides, they were further investigated by Ali et al [38] using first principles calculations. Another important MAX phase borides (212 MAX phase: Ti 2 InB 2 ) has been synthesized by Wang et al [39]and they were further investigated by Ali et al [40] and Wang et al [41]. Moreover, a number of MAX phase borides have also been predicted by the researchers.…”