[HTML][HTML] Physical properties of new MAX phase borides M2SB (M= Zr, Hf and Nb) in comparison with conventional MAX phase carbides M2SC (M= Zr, Hf and Nb) …
In this article, a detailed study of the recently synthesized MAX phase borides M 2 SB (M= Zr,
Hf and Nb) has been performed via first principles technique. Investigation of mechanical …
Hf and Nb) has been performed via first principles technique. Investigation of mechanical …
Ternary boride Hf3PB4: Insights into the physical properties of the hardest possible boride MAX phase
We have carried out a first-principles investigation of mechanical, electronic, thermodynamic
and optical properties of the recently predicted thermodynamically stable MAX phase boride …
and optical properties of the recently predicted thermodynamically stable MAX phase boride …
DFT insights into new B-containing 212 MAX phases: Hf2AB2 (A= In, Sn)
Abstract 212 MAX phase borides are new additions to the MAX phase family with enhanced
thermo-mechanical properties. In this article, first-principles calculations have been carried …
thermo-mechanical properties. In this article, first-principles calculations have been carried …
The Rise of 212 MAX Phase Borides: DFT Insights into the Physical Properties of Ti2PB2, Zr2PbB2, and Nb2AB2 [A = P, S] for Thermomechanical Applications
In this article, ab initio calculations of unexplored Ti2PB2, Zr2PbB2, and Nb2AB2 [A= P, S]
were performed wherein Ti2PB2 along with its 211 boride phase Ti2PB was predicted for …
were performed wherein Ti2PB2 along with its 211 boride phase Ti2PB was predicted for …
[HTML][HTML] A comprehensive exploration of the physical properties of M2GaB (M= Ti, Zr, Mo, Hf) through DFT method
Abstract The M 2 GaB (M= Ti, Zr, Mo, Hf) MAX phase borides were investigated in the
present study. We have calculated the fracture toughness, brittleness index, acoustic …
present study. We have calculated the fracture toughness, brittleness index, acoustic …
Recently synthesized (Ti 1− x Mo x) 2 AlC (0≤ x≤ 0.20) solid solutions: deciphering the structural, electronic, mechanical and thermodynamic properties via ab initio …
The structural, electronic, mechanical and thermodynamic properties of (Ti1− xMox) 2AlC
(0≤ x≤ 0.20) were explored using density functional theory. The obtained lattice constants …
(0≤ x≤ 0.20) were explored using density functional theory. The obtained lattice constants …
Recently synthesized (Zr1-xTix) 2AlC (0≤ x≤ 1) solid solutions: Theoretical study of the effects of M mixing on physical properties
The effects of M atomic species mixing on the structural, elastic, electronic, and
thermodynamic properties of newly synthesized MAX phase (Zr 1-x Ti x) 2 AlC (0≤ x≤ 1) …
thermodynamic properties of newly synthesized MAX phase (Zr 1-x Ti x) 2 AlC (0≤ x≤ 1) …
Newly synthesized MAX phase Zr 2 SeC: DFT insights into physical properties towards possible applications
MA Ali, MW Qureshi - RSC advances, 2021 - pubs.rsc.org
A DFT study of the synthesized MAX phase Zr2SeC has been carried out for the first time to
explore its physical properties for possible applications in many sectors. The studied …
explore its physical properties for possible applications in many sectors. The studied …
Physical properties of predicted MAX phase borides Hf2AB (A= Pb, Bi): A DFT insight
We have used density functional theory to study the recently predicted MAX phase borides
Hf 2 AB (A= Pb, Bi) in which the mechanical, electronic, thermal, and optical properties have …
Hf 2 AB (A= Pb, Bi) in which the mechanical, electronic, thermal, and optical properties have …
Exploration of the physical properties of the newly synthesized kagome superconductor LaIr 3 Ga 2 using different exchange–correlation functionals
LaIr3Ga2 is a kagome superconductor with a superconducting temperature (Tc) of 5.16 K.
Here, we present the physical properties of the LaIr3Ga2 kagome superconductor computed …
Here, we present the physical properties of the LaIr3Ga2 kagome superconductor computed …