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A density functional theory approach to the effects of C and N substitution at the B-site of the first boride MAX phase Nb2SB
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/anie.201814128openalex-snapshot
A Series of MAX Phases with MA‐Triangular‐Prism Bilayers and Elastic Properties
inferredcites →https://doi.org/10.1002/pssb.201600209openalex-snapshot
First‐principles prediction of mechanical and bonding characteristics of new T2 superconductor Ta5GeB2
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Theoretical investigation of structural, elastic, and electronic properties of ternary boride MoAlB
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First‐Principles Study of Superconducting ScRhP and ScIrP pnictides
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Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle .
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Lehrbuch der Kristallphysik
inferredcites →https://doi.org/10.1007/bf00901306openalex-snapshot
Die H-Phasen Ti2TlC, Ti2PbC, Nb2InC, Nb2SnC und Ta2GaC
inferredcites →https://doi.org/10.1007/bf00902358openalex-snapshot
Kohlenstoffhaltige tern�re Verbindungen (V-Ge-C, Nb-Ga-C, Ta-Ga-C, Ta-Ge-C, Cr-Ga-C und Cr-Ge-C)
inferredcites →https://doi.org/10.1007/bf00905710openalex-snapshot
Ti2AlN, eine stickstoffhaltige H-Phase
inferredcites →https://doi.org/10.1007/bf00905711openalex-snapshot
Die H-Phasen Ti2InC, Zr2InC, Hf2InC und Ti2GeC
inferredcites →https://doi.org/10.1007/bf00909264openalex-snapshot
Die H-Phasen: Ti2CdC, Ti2GaC, Ti2GaN, Ti2InN, Zr2InN und Nb2GaC
inferredcites →https://doi.org/10.1007/bf00913068openalex-snapshot
Kohlenstoffhaltige tern�re Verbindungen (H-Phase)
inferredcites →https://doi.org/10.1007/s10854-016-5338-zopenalex-snapshot
Physical properties of the recently discovered Zr2(Al1−x Bi x )C MAX phases
inferredcites →https://doi.org/10.1007/s10948-016-3619-7openalex-snapshot
Structural, Elastic, and Electronic Properties of Newly Discovered Li2PtSi3 Superconductor: Effect of Transition Metals
inferredcites →https://doi.org/10.1007/s11661-000-0268-yopenalex-snapshot
Characterization of Ti4AlN3
inferredcites →https://doi.org/10.1007/s11661-000-0273-1openalex-snapshot
Synthesis of Ti4AlN3 and phase equilibria in the Ti-Al-N system
inferredcites →https://doi.org/10.1007/s40145-015-0140-6openalex-snapshot
Theoretical prediction on mechanical and thermal properties of a promising thermal barrier material: Y4Al2O9
inferredcites →https://doi.org/10.1016/0022-3697(63)90067-2openalex-snapshot
A simplified method for calculating the debye temperature from elastic constants
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Elastic constants versus melting temperature in metals
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Projection of plane-wave calculations into atomic orbitals
inferredcites →https://doi.org/10.1016/j.commatsci.2013.11.040openalex-snapshot
First-principles study of the structural, electronic and elastic properties of ternary Zr2AN (A=Ga, In and Tl)
inferredcites →https://doi.org/10.1016/j.commatsci.2016.02.018openalex-snapshot
New ternary nanolaminated carbide Mo2Ga2C: A first-principles comparison with the MAX phase counterpart Mo2GaC
inferredcites →https://doi.org/10.1016/j.commatsci.2017.06.007openalex-snapshot
Elastic and thermodynamic properties of new (Zr3−Ti )AlC2 MAX-phase solid solutions
inferredcites →https://doi.org/10.1016/j.commatsci.2017.06.030openalex-snapshot
Density functional theory study of a new Bi-based (K1.00)(Ba1.00)3(Bi0.89Na0.11)4O12 double perovskite superconductor
inferredcites →https://doi.org/10.1016/j.commatsci.2019.109144openalex-snapshot
Structural, elastic, thermal and lattice dynamic properties of new 321 MAX phases
inferredcites →https://doi.org/10.1016/j.jallcom.2017.07.110openalex-snapshot
Mechanical behavior, bonding nature and defect processes of Mo2ScAlC2: A new ordered MAX phase
inferredcites →https://doi.org/10.1016/j.jallcom.2017.08.151openalex-snapshot
First hafnium-based MAX phase in the 312 family, Hf3AlC2: A first-principles study
inferredcites →https://doi.org/10.1016/j.jallcom.2018.03.182openalex-snapshot
Physical properties and defect processes of M3SnC2 (M = Ti, Zr, Hf) MAX phases: Effect of M-elements
inferredcites →https://doi.org/10.1016/j.jallcom.2019.153547openalex-snapshot
DFT investigations into the physical properties of a MAB phase Cr4AlB4
inferredcites →https://doi.org/10.1016/j.jpcs.2017.12.055openalex-snapshot
Magnetic and optical properties of carbon and silicon decorated free standing buckled germanene: A DFT approach
inferredcites →https://doi.org/10.1016/j.jpcs.2018.02.037openalex-snapshot
Newly synthesized MgAl 2 Ge 2 : A first-principles comparison with its silicide and carbide counterparts
inferredcites →https://doi.org/10.1016/j.jpcs.2019.01.009openalex-snapshot
Mechanical behaviors, lattice thermal conductivity and vibrational properties of a new MAX phase Lu2SnC
inferredcites →https://doi.org/10.1016/j.jpcs.2019.109275openalex-snapshot
Superconducting phases in a remarkable class of metallic ceramics
inferredcites →https://doi.org/10.1016/j.jpcs.2020.109759openalex-snapshot
Insights into the physical properties of a new 211 MAX phase Nb2CuC
inferredcites →https://doi.org/10.1016/j.trechm.2019.02.016openalex-snapshot
On the Chemical Diversity of the MAX Phases
inferredcites →https://doi.org/10.1016/s0038-1098(99)00359-2openalex-snapshot
Carbosulfide superconductor
inferredcites →https://doi.org/10.1016/s0079-6786(00)00006-6openalex-snapshot
The MN+1AXN phases: A new class of solids
inferredcites →https://doi.org/10.1016/s0257-8972(02)00593-5openalex-snapshot
Materials selection guidelines for low thermal conductivity thermal barrier coatings
inferredcites →https://doi.org/10.1016/s0955-2219(03)00129-8openalex-snapshot
Ceramic materials for thermal barrier coatings
inferredcites →https://doi.org/10.1017/cbo9780511805790.007openalex-snapshot
Finite Deformation of an Elastic Solid
inferredcites →https://doi.org/10.1017/s0305004100017138openalex-snapshot
On the stability of crystal lattices. I
inferredcites →https://doi.org/10.1021/acs.inorgchem.5b00049openalex-snapshot
Ternary Borides Cr 2 AlB 2 , Cr 3 AlB 4 , and Cr 4 AlB 6 : The First Members of the Series (CrB 2 ) n CrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases
inferredcites →https://doi.org/10.1021/j100203a036openalex-snapshot
General methods for geometry and wave function optimization
inferredcites →https://doi.org/10.1038/s41467-019-10297-8openalex-snapshot
Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB
inferredcites →https://doi.org/10.1039/d0ra07730eopenalex-snapshot
Chemically stable new MAX phase V 2 SnC: a damage and radiation tolerant TBC material
inferredcites →https://doi.org/10.1063/1.1740588openalex-snapshot
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
inferredcites →https://doi.org/10.1063/1.2938031openalex-snapshot
Pressure-induced incompressibility of ReC and effect of metallic bonding on its hardness
inferredcites →https://doi.org/10.1063/1.2938862openalex-snapshot
Optical properties of Ti3SiC2 and Ti4AlN3
inferredcites →https://doi.org/10.1063/1.3130093openalex-snapshot
Theoretical investigation of A-element atom diffusion in Ti2AC (A=Sn, Ga, Cd, In, and Pb)
inferredcites →https://doi.org/10.1063/1.5011374openalex-snapshot
Intrinsic defect processes and elastic properties of Ti3AC2 (A = Al, Si, Ga, Ge, In, Sn) MAX phases
inferredcites →https://doi.org/10.1080/01418618208239905openalex-snapshot
A quantitative demonstration of the grain boundary diffusion mechanism for the oxidation of metals
inferredcites →https://doi.org/10.1080/14786440808520496openalex-snapshot
XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
inferredcites →https://doi.org/10.1088/0953-8984/19/32/326214openalex-snapshot
Elastic properties of MgCNi 3 —a superconducting perovskite
inferredcites →https://doi.org/10.1088/0953-8984/21/30/305403openalex-snapshot
A comprehensive survey of M2AX phase elastic properties
inferredcites →https://doi.org/10.1088/0953-8984/28/27/275201openalex-snapshot
ELATE: an open-source online application for analysis and visualization of elastic tensors
inferredcites →https://doi.org/10.1088/1674-1056/24/11/117401openalex-snapshot
Structural, elastic, and electronic properties of recently discovered ternary silicide superconductor Li2IrSi3: Anab-initiostudy
inferredcites →https://doi.org/10.1088/1674-1056/25/10/107103openalex-snapshot
New ordered MAX phase Mo2TiAlC2: Elastic and electronic properties from first-principles
inferredcites →https://doi.org/10.1088/1674-1056/26/3/037103openalex-snapshot
New ternary superconducting compound LaRu 2 As 2 : Physical properties from density functional theory calculations
inferredcites →https://doi.org/10.1103/physrev.137.a128openalex-snapshot
Theory of Heat Conduction in Rare-Gas Crystals
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.28.1809openalex-snapshot
Beyond the local-density approximation in calculations of ground-state electronic properties
inferredcites →https://doi.org/10.1103/physrevb.41.7892openalex-snapshot
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
inferredcites →https://doi.org/10.1103/physrevb.70.165401openalex-snapshot
Mn+1AXn phases in the Ti−Si−C system studied by thin-film synthesis andab initiocalculations
inferredcites →https://doi.org/10.1103/physrevb.74.184113openalex-snapshot
Electronic structures of and composition gaps among the ternary carbides Ti2MC
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1111/j.1151-2916.1996.tb08018.xopenalex-snapshot
Synthesis and Characterization of a Remarkable Ceramic: Ti 3 SiC 2
inferredcites →https://doi.org/10.1111/j.1151-2916.1999.tb02117.xopenalex-snapshot
High‐Resolution Transmission Electron Microscopy of Ti 4 AlN 3 , or Ti 3 Al 2 N 2 Revisited
inferredcites →https://doi.org/10.1111/j.1551-2916.2006.01303.xopenalex-snapshot
Microstructures and Theoretical Bulk Modulus of Layered Ternary Tantalum Aluminum Carbides
inferredcites →https://doi.org/10.1142/s0217979215500228openalex-snapshot
Zirconium metal-based MAX phases Zr 2 AC (A = Al , Si , P and S ): A first-principles study
inferredcites →https://doi.org/10.1511/2001.28.334openalex-snapshot
The MAX Phases: Unique New Carbide and Nitride Materials
inferredcites →https://doi.org/10.1511/2001.4.334openalex-snapshot
The MAX Phases: Unique New Carbide and Nitride Materials
inferredcites →https://doi.org/10.1515/zna-2018-0334openalex-snapshot
Cubic Perovskite Pb(Mg1/3Nb2/3)O3: A Damage Tolerant, Machinable, and Thermal barrier coating material
inferredcites →https://doi.org/10.1524/zkri.220.5.567.65075openalex-snapshot
First principles methods using CASTEP
inferredcites →https://doi.org/10.1557/jmr.2009.0012openalex-snapshot
Low-temperature instability of Ti2SnC: A combined transmission electron microscopy, differential scanning calorimetry, and x-ray diffraction investigations
inferredcites →https://doi.org/10.3329/jsr.v6i1.16604openalex-snapshot
New MAX Phase Superconductor Ti2GeC: A First-principles Study
inferredcites →https://doi.org/10.4028/www.scientific.net/kem.746.207openalex-snapshot
Self-Propagating High-Temperature Synthesis of Boron-Containing MAX-Phase
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4605553openalex-extracted
A Comparative Ab-Initio Investigation of the Physical Properties of Cubic Laves Phase Compounds Xbi2 (X = K, Rb)
inferred← citeshttps://doi.org/10.1016/j.actamat.2022.118183openalex-snapshot
Chalcogenide MAX phases Zr2Se(B1-xSex) (x=0–0.97) and their conduction behaviors
inferred← citeshttps://doi.org/10.1016/j.ceramint.2025.02.025openalex-snapshot
The yttrium-based MAX phases of double transition metals YMAlX and (Y2/3M1/3)2AlX (M = Sc, Ti, Zr; X = C and N): An ab initio study
inferred← citeshttps://doi.org/10.1016/j.ceramint.2026.01.032openalex-snapshot
Structural stability, electronic and electrochemical properties of Y-based layered ceramic MAX (Y2AX) and h-MAB (Y2AB2) phases (A = P, S; X = C, N)
inferred← citeshttps://doi.org/10.1016/j.ceramint.2026.09.080openalex-snapshot
From MAX to h-MAB: First-principles insights into composition-structure-property relationships in Y2AX and Y2AB2 (A = P, S; X = C, N) layered ceramics
inferred← citeshttps://doi.org/10.1016/j.chemphys.2025.112833openalex-snapshot
First-principles calculations, into the stability, tensile strength, and physical properties of M2CuC (M = V, Cr, and Mo) as novel 211 MAX phase carbides
inferred← citeshttps://doi.org/10.1016/j.cocom.2024.e00905openalex-snapshot
A comparative ab-initio investigation of the physical properties of cubic Laves phase compounds XBi2 (X = K, rb)
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114497openalex-snapshot
Exploring elastic anisotropies, mechanical, thermodynamic, optical properties and structural stability of the new possible 312 MAX phases Hf 3 Ge X 2 ( X = C, N and B). Ab-initio study
inferred← citeshttps://doi.org/10.1016/j.heliyon.2025.e42646openalex-snapshot
RETRACTED: Crystal stability and the origin of transport properties of new MAX phases Y2AN (A = In, Tl): A theoretical background for experimental study
inferred← citeshttps://doi.org/10.1016/j.inoche.2023.110515openalex-snapshot
Study of Structural, optoelectronic and elastic properties of MAX phase of Ti2BrX (X = B, C and N) by density functional theory
inferred← citeshttps://doi.org/10.1016/j.jmrt.2023.01.085openalex-snapshot
First-principles calculations to investigate mechanical, electronic, optical, and thermodynamic properties of Zr-based ternary compounds
inferred← citeshttps://doi.org/10.1016/j.jmrt.2023.04.147openalex-snapshot
DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti)
inferred← citeshttps://doi.org/10.1016/j.jmrt.2024.11.137openalex-snapshot
First-principles calculations on Ti2AlB2, Ti3AlB4 and Ti4AlB6, three potential new members of the orthorhombic MAB phase
inferred← citeshttps://doi.org/10.1016/j.jpcs.2023.111251openalex-snapshot
First-principles insights into structural stability, elastic anisotropies, mechanical and thermodynamic properties of the Hf 2 Ge X ( X=C , N, and B) 211 MAX phases
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2024.130310openalex-snapshot
A DFT investigation of the extraordinary thermophysical properties of the W 2 AlN compound: A novel MAX phase
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2024.108437openalex-snapshot
Stability and physical properties of two novel magnetic MAX phase compounds Fe2AB (A=Cu and Zn) from density functional theory
inferred← citeshttps://doi.org/10.1016/j.physb.2025.417387openalex-snapshot
Investigation of pressure effects on binary carbides ZC (Z = Ti, Zr and Hf): Promising candidates as a coating materials
inferred← citeshttps://doi.org/10.1016/j.rinma.2023.100518openalex-snapshot
A comprehensive first-principles insights into the physical properties of binary intermetallic Zr3Ir compound
inferred← citeshttps://doi.org/10.1016/j.solidstatesciences.2024.107603openalex-snapshot
Investigation of the stability and physical properties of the newly synthesized TaAC (A=Co and Ni) MAX phases from first principles
inferred← citeshttps://doi.org/10.1016/j.solidstatesciences.2024.107733openalex-snapshot
A DFT exploration of the stabilities, physical properties, and tensile strength of new synthesized Nb2AC (A=Ni and Co) MAX phases
inferred← citeshttps://doi.org/10.1016/j.vacuum.2024.113731openalex-snapshot
First-principles calculations of the elastic anisotropy, thermal conductivity, and optical properties of MAX-phase M2AlC (M = V, Nb, Ta) series carbides
inferred← citeshttps://doi.org/10.1021/acs.chemmater.5c00874openalex-snapshot
Pivotal Role of A-Site Elements in the Stability and Mechanical Properties of h-MAB Phases
inferred← citeshttps://doi.org/10.1021/acsanm.3c04180openalex-snapshot
Fabrication of Nano-sized Cr 2 GaC with a Bottom-Up Approach for Lithium Storage
inferred← citeshttps://doi.org/10.1021/acsomega.2c06331openalex-snapshot
The Rise of 212 MAX Phase Borides: DFT Insights into the Physical Properties of Ti 2 PB 2 , Zr 2 PbB 2 , and Nb 2 AB 2 [A = P, S] for Thermomechanical Applications
inferred← citeshttps://doi.org/10.1038/s41598-022-17539-8openalex-snapshot
Prediction of phonon-mediated superconductivity in new Ti-based M$$_2$$AX phases
inferred← citeshttps://doi.org/10.1088/1402-4896/acb671openalex-snapshot
Red shift of lead-free halide perovskite RbCaCl3 under pressure for enhancing optoelectronic performance
inferred← citeshttps://doi.org/10.1088/1402-4896/ace500openalex-snapshot
Structural stability and physical properties of MAX phases M2SX (M=Sc, Y, X=B, C, N) via first-principles calculations
inferred← citeshttps://doi.org/10.1111/jace.70186openalex-snapshot
A first‐principles study of the physical properties of the three magnetic MAX phases, Mn2SiX (X = C, N, and B)
inferred← citeshttps://doi.org/10.21203/rs.3.rs-8272187/v1openalex-snapshot
DFT-Based exploration of Mo substitution in RbPbCl3 and RbSnCl3 : Transition Metal tuning of halide perovskite properties
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