Magnetic MAX phases from theory and experiments; a review
This review presents MAX phases (M is a transition metal, A an A-group element, X is C or
N), known for their unique combination of ceramic/metallic properties, as a recently …
N), known for their unique combination of ceramic/metallic properties, as a recently …
First-principles prediction of thermodynamic properties and mechanical properties of Ti2AX (A= Al, Ga; X= C, N) M2AX phase at different pressures and temperatures
B Li, L Bao, A Yang, Y Duan, M Peng, X Wang, Y Cao… - Vacuum, 2022 - Elsevier
First-principles calculations were used to examine the mechanical and thermodynamic
properties of Ti 2 AX (A= Al, Ga; X= C, N) M 2 AX phase at various pressures and …
properties of Ti 2 AX (A= Al, Ga; X= C, N) M 2 AX phase at various pressures and …
Magnetic and electrical/thermal transport properties of Mn-doped Mn+ 1AXn phase compounds Cr2− xMnxGaC (0≤ x≤ 1)
In this paper, we report the effects of partial substitution of Mn for Cr on the structural,
magnetic, and electrical/thermal transport properties of M n+ 1 AX n phase compounds Cr …
magnetic, and electrical/thermal transport properties of M n+ 1 AX n phase compounds Cr …
[HTML][HTML] Room temperature ferromagnetism in the nanolaminated MAX phase (Mn1− xCrx) 2GaC
EB Thorsteinsson, M Dahlqvist, A Elsukova… - APL Materials, 2023 - pubs.aip.org
MAX phases are a class of intrinsically nanolaminated materials, which combine features of
metals and ceramics, owing to the alternating metallic and covalent bonding between atomic …
metals and ceramics, owing to the alternating metallic and covalent bonding between atomic …
First-Principles Study on the MAX Phases Ti n+1GaN n (n = 1,2, and 3)
We have performed first-principles density functional theory calculations within generalized-
gradient approximation to obtain the structural, mechanical, electronic, and dynamic …
gradient approximation to obtain the structural, mechanical, electronic, and dynamic …
Phase Stability of Nanolaminated Epitaxial (Cr1–xFex)2AlC MAX Phase Thin Films on MgO(111) and Al2O3(0001) for Use as Conductive Coatings
H Pazniak, M Stevens, M Dahlqvist… - ACS applied nano …, 2021 - ACS Publications
In this study, we model the chemical stability in the (Cr1–x Fe x) 2AlC MAX phase system
using density functional theory, predicting its phase stability for 0< x< 0.2. Following the …
using density functional theory, predicting its phase stability for 0< x< 0.2. Following the …
A critical evaluation of GGA+ U modeling for atomic, electronic and magnetic structure of Cr2AlC, Cr2GaC and Cr2GeC
In this work we critically evaluate methods for treating electron correlation effects in
multicomponent carbides using a GGA+ U framework, addressing doubts from previous …
multicomponent carbides using a GGA+ U framework, addressing doubts from previous …
Ab-initio aprroach to the electronic, structural, elastic, and finite-temperature thermodynamic properties of Ti2AX (A= Al or Ga and X= C or N)
T Duong, S Gibbons, R Kinra, R Arróyave - Journal of Applied Physics, 2011 - pubs.aip.org
In this work, the electronic, structural, elastic, and thermodynamic properties of Ti 2 AX MAX
phases (A= Al or Ga, X= C or N) were investigated using density functional theory (DFT). It is …
phases (A= Al or Ga, X= C or N) were investigated using density functional theory (DFT). It is …
First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn2GaC
In this paper, we report the by first-principles predicted properties of the recently discovered
magnetic MAX phase Mn 2 GaC. The electronic band structure and vibrational dispersion …
magnetic MAX phase Mn 2 GaC. The electronic band structure and vibrational dispersion …
First-principle investigations on the structural dynamics of Ti2GaN
ZJ Yang, J Li, RF Linghu, XL Cheng… - Journal of alloys and …, 2013 - Elsevier
We report a first-principle study on the elastic and electronic properties of the nanolaminate
Ti 2 GaN. Our calculated lattice parameter shows that c axis is always stiffer than a axis. The …
Ti 2 GaN. Our calculated lattice parameter shows that c axis is always stiffer than a axis. The …