(<scp><scp>Cr</scp></scp>2/3<scp><scp>Ti</scp></scp>1/3)3<scp><scp>AlC</scp></scp>2 and (<scp><scp>Cr</scp></scp>5/8<scp><scp>Ti</scp></scp>3/8)4<scp><scp>AlC</scp></scp>3: New <scp>MAX</scp>‐phase Compounds in <scp><scp>Ti</scp></scp>–<scp><scp>Cr</scp></scp>–<scp><scp>Al</scp></scp>–<scp><scp>C</scp></scp> System

Liu, Zhimou; Zheng, Lai; Sun, Luchao; Qian, Yuhai; Wang, Jiemin; Li, Meishuan

doi:10.1111/jace.12731

Cited by 145 publications

(66 citation statements)

References 16 publications

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“…In particular, solid solutions on the M-site include, e.g., (Ti,M)2AlC where M = V, Nb, Ta, Cr, [8][9][10][11] (V,M)2AlC where M = Nb, Ta, Cr, 9,12 (Cr,Mn)2AC where A = Al, Ga, Ge, 3,[13][14][15][16][17][18][19] (Ti,V)3AC2 where A = Al, Ge, 20,21 and (V,M)4AlC3 where M = Ti, Nb. 20,21 Adding a fourth element has also been demonstrated by realization of TiCr2AlC2, 22,23 V1.5Cr1.5AlC2, 12 TiMo2AlC2, 24,25 and Ti2Mo2AlC3, 24 which all are recent discoveries of chemically ordered quaternary MAX phases, with atomic layers composed of a single element only. This raises the question why certain combinations of M elements form layered chemically ordered MAX phases, while other combinations result in a solid solution.…”

Section: Introductionmentioning

confidence: 93%

Order and disorder in quaternary atomic laminates from first-principles calculations

Dahlqvist

Rosén

2015

Phys. Chem. Chem. Phys.

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We report on the phase stability of chemically ordered and disordered quaternary MAX phases -TiMAlC, TiM2AlC2, MTi2AlC2, and Ti2M2AlC3 where M=Zr,Hf (group IV), M=V,Nb,Ta (group V), and M=Cr,Mo,W (group VI). At 0 K, layered chemically ordered structures are predicted to be stable for M from group V and VI. By taking into account the configurational entropy, an order-disorder temperature Tdisorder can be estimated. TiM2AlC2 (M=Cr,Mo,W) and Ti2M2AlC3 (M=Mo,W) are found with Tdisorder >1773 K and are hence predicted to be ordered at the typical bulk synthesis temperatures of 1773 K. Other ordered phases, even though metastable at elevated temperatures, may be synthesized by non-equilibrium methods such as thin film growth. Furthermore, phases predicted not to be stable in any form at 0 K can be stabilized at higher temperatures in a disordered form, being the case for group IV, for MTi2AlC2 (M=V,Cr,Mo), and for Ti2M2AlC3 (M=V,Ta). The stability of the layered ordered structures with M from group VI can primarily be explained by Ti breaking the energetically unfavorable stacking of M and C where M is surrounded by C in a face-centered cubic configuration, and by M having a larger electronegativity than Al resulting in fewer electrons available for populating antibonding Al-Al orbitals. The results show that these chemically ordered quaternary MAX phases allow for new elemental combinations in MAX phases, which can be used to add new properties to this family of atomic laminates and in turn prospects for tuning these properties.

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Section: Introductionmentioning

confidence: 93%

Order and disorder in quaternary atomic laminates from first-principles calculations

Dahlqvist

Rosén

2015

Phys. Chem. Chem. Phys.

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“…These have a slightly different ordering and stoichiometry compared to traditional MAX phases but share the hexagonal layered structure. Examples are (Cr 2/3 Ti 1/3 ) 3 AlC 2 and (Cr 5/8 Ti 3/8 ) 4 AlC 3 [40], as well as the recently discovered Mo 2 Ga 2 C [87,119] which is essentially the same phase as the 211 MAX phase but with two subsequent Ga layers. Another example is (Cr 0.5 V 0.5 ) n+1 AlC n [83] which belongs to a group of materials which can be characterized as being composed of two different MAX phases [39].…”

Section: Additional Research Routes For Magnetic Nanolaminatesmentioning

confidence: 99%

Magnetic MAX phases from theory and experiments; a review

Ingason

Dahlqvist

Rosén

2016

J. Phys.: Condens. Matter

109

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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 uncovered family of novel magnetic nanolaminates. The first created magnetic MAX phases were predicted using density functional theory through evaluation of phase stability, and subsequently synthesized as heteroepitaxial thin films. All magnetic MAX phases reported to date, in bulk or thin film form, are based on Cr and/or Mn, and they include (Cr,Mn)2AlC, (Cr,Mn)2GeC, (Cr,Mn)2GaC, (Mo,Mn)2GaC, and (V,Mn)3GaC2, Cr2AlC, Cr2GeC and Mn2GaC. A variety of magnetic properties have been found, such as ferromagnetic response well above room temperature and structural changes linked to magnetic anisotropy. In this paper, theoretical as well as experimental work performed on these materials to date is critically reviewed, in terms of methods used, results acquired, and conclusions drawn. Open questions concerning magnetic characteristics are discussed, and an outlook focused on new materials, superstructures, property tailoring and further synthesis and characterization is presented.

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“…List of the 68 solid solutions known to date. 2 AlC (x = 0.25, 0.3, 0.4, 0.5, 0.6, 0.75, 0.8, 0.85) [9][10][11] (Ti x ,V 1−x ) 3 AlC 2 (x = 0.5 a ) (Ti x ,Cr 1−x ) 2 AlC (x = 0.25, 0.75) [10] ( T i x ,Cr 1−x ) 3 AlC 2 (x = 0.33) [25] (Ti x ,Nb 1−x ) 2 AlC (x = 0.5) [12] (Cr x ,V 1−x ) 3 AlC 2 (x = 0.5) [26] (Ti x ,Ta 1−x ) 2 AlC (x = 0.4) [12] A element (Ti x ,Hf 1−x ) 2 InC (x = 0.5) [13] T i 3 (Al x ,Si 1−x )C 2 (x = 0.1, 0.2, 0.4, 0.5, (Ti x ,Hf 1−x ) 2 InC 1.26 (x = 0.47) [14] 0.75, 0.8, 0.85, 0.9, 0.95) [27][28][29][30] (Ti x ,Zr 1−x ) 2 InC (x = 0.5) [13] T i 3 (Al x ,Sn 1−x )C 2 (x = 0.8) [18] (Cr x ,V 1−x ) 2 AlC (x = 0.25, 0.3, 0.5, 0.7, 0.75, 0.9) [10,11,15] T 2 GeC (x = 0.5) [16] T i 3 (Si x ,Ge 1−x )C 2 (x = 0.43, 0.5, 0.75) [32,33] (V x ,Ta 1−x ) 2 AlC (x = 0.65) [12] T a 3 [12] X element (Nb x ,Zr 1−x ) 2 AlC (x = 0.6, 0.8 a ) [12] T…”

Section: Introductionmentioning

confidence: 99%

New Solid Solution MAX Phases: (Ti_0.5, V_0.5)₃AlC₂, (Nb_0.5, V_0.5)₂AlC, (Nb_0.5, V_0.5)₄AlC₃and (Nb_0.8, Zr_0.2)₂AlC

Naguib

Bentzel

Shah

et al. 2014

Materials Research Letters

117

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AlC. Rietveld analysis of powder X-ray diffraction patterns was used to calculate the lattice parameters and phase fractions. Heating Ti, V, Al and C elemental powders-in the molar ratio of 1.5:1.5:1.3:2-to 1, 450 • C for 2 h in flowing argon, resulted in a predominantly phase pure sample of (Ti 0.5 , V 0.5 ) 3 AlC 2 . The other compositions were not as phase pure and further work on optimizing the processing parameters needs to be carried out if phase purity is desired.

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(Cr_2/3Ti_1/3)₃AlC₂ and (Cr_5/8Ti_3/8)₄AlC₃: New MAX‐phase Compounds in Ti–Cr–Al–C System

Cited by 145 publications

References 16 publications

Order and disorder in quaternary atomic laminates from first-principles calculations

Order and disorder in quaternary atomic laminates from first-principles calculations

Magnetic MAX phases from theory and experiments; a review

New Solid Solution MAX Phases: (Ti_0.5, V_0.5)₃AlC₂, (Nb_0.5, V_0.5)₂AlC, (Nb_0.5, V_0.5)₄AlC₃and (Nb_0.8, Zr_0.2)₂AlC

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(Cr2/3Ti1/3)3AlC2 and (Cr5/8Ti3/8)4AlC3: New MAX‐phase Compounds in Ti–Cr–Al–C System

Cited by 145 publications

References 16 publications

Order and disorder in quaternary atomic laminates from first-principles calculations

Order and disorder in quaternary atomic laminates from first-principles calculations

Magnetic MAX phases from theory and experiments; a review

New Solid Solution MAX Phases: (Ti0.5, V0.5)3AlC2, (Nb0.5, V0.5)2AlC, (Nb0.5, V0.5)4AlC3and (Nb0.8, Zr0.2)2AlC

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(Cr_2/3Ti_1/3)₃AlC₂ and (Cr_5/8Ti_3/8)₄AlC₃: New MAX‐phase Compounds in Ti–Cr–Al–C System

New Solid Solution MAX Phases: (Ti_0.5, V_0.5)₃AlC₂, (Nb_0.5, V_0.5)₂AlC, (Nb_0.5, V_0.5)₄AlC₃and (Nb_0.8, Zr_0.2)₂AlC