Investigation of structural, electronic, anisotropic elastic, and lattice dynamical properties of MAX phases borides: An Ab-initio study on hypothetical M2AB (M= Ti, Zr …
G Surucu - Materials Chemistry and Physics, 2018 - Elsevier
The structural, electronic, anisotropic elastic, and lattice dynamical properties of the M 2 AB
(M= Ti, Zr, Hf; A= Al, Ga, In) compounds belong to the family of MAX phases have been …
(M= Ti, Zr, Hf; A= Al, Ga, In) compounds belong to the family of MAX phases have been …
Influence of vacancies on the mechanical and thermodynamic properties of TM2B3 (TM= Ru and Os) borides from first-principles calculations
Y Pan, C Jing - Ceramics International, 2019 - Elsevier
The layered structure plays an important role in Vickers hardness of superhard materials.
However, the Vickers hardness of transition metal borides with layered structure is …
However, the Vickers hardness of transition metal borides with layered structure is …
Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations
In this study, we have investigated the structural, electronic, magnetic, elastic, thermoelectric,
and thermal properties of Co2FeGa1− xSix with 0≤ x≤ 1 through the first-principles density …
and thermal properties of Co2FeGa1− xSix with 0≤ x≤ 1 through the first-principles density …
First-principle investigation for the hydrogen storage properties of NaXH3 (X= Mn, Fe, Co) perovskite type hydrides
In the present study, NaXH 3 (X= Mn, Fe, Co) perovskite type hydrides have been
investigated by performing first-principles calculation. The results of the structural …
investigated by performing first-principles calculation. The results of the structural …
First-principles insights into structural stability, elastic anisotropies, mechanical and thermodynamic properties of the Hf2GeX (X= C, N, and B) 211 MAX phases
M Rougab, A Gueddouh - Journal of Physics and Chemistry of Solids, 2023 - Elsevier
Through a first-principles investigation, we demonstrate the thermodynamic, dynamic, and
mechanical stability of Hf 2 GeC, Hf 2 GeN, and the new possible Hf 2 GeB MAX phase by …
mechanical stability of Hf 2 GeC, Hf 2 GeN, and the new possible Hf 2 GeB MAX phase by …
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) …
Study of the structural, mechanical and thermodynamic properties of the new MAX phase compounds (Zr1-xTix) 3AlC2
The structural, electronic, mechanical and the thermodynamic properties of the MAX phases
(Zr 1-x Ti x) 3 AlC 2 compounds have been investigated by using the full-potential plane …
(Zr 1-x Ti x) 3 AlC 2 compounds have been investigated by using the full-potential plane …
Lattice dynamical and thermo-elastic properties of M2AlB (M= V, Nb, Ta) MAX phase borides
The structural, electronic, dynamic, and thermo-elastic properties of M 2 AlB (X= V, Nb, Ta)
MAX phase borides were investigated using first principle calculations as implemented in …
MAX phase borides were investigated using first principle calculations as implemented in …
Structural, magnetic, electronic, thermoelectric, optical and elastic properties of Co2Mn1-xTixGe Heusler alloys
We have investigated the structural, electronic, magnetic, thermoelectric, optical, elastic and
thermal properties of Co 2 Mn 1-x Ti x Ge using the first-principles full-potential linearized …
thermal properties of Co 2 Mn 1-x Ti x Ge using the first-principles full-potential linearized …
Investigations of martensitic, thermodynamics, elastic, electronic, magnetic, thermal and thermoelectric properties of Co2FeZ Heusler alloys (Z=Si; Ge; Al; Ga): a first …
In this study, the first-principle calculations using FPLAPW based on density functional
theory, have been employed to examine and deeply understand the martensitic …
theory, have been employed to examine and deeply understand the martensitic …