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Dft Based Investigation of Structural, Elastic, Optoelectronic, Thermophysical and Superconducting State Properties of Binary Mo3p at Different Pressures
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Identifying Catalytic Active Sites of Trimolybdenum Phosphide (Mo3P) for Electrochemical Hydrogen Evolution
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Fast and Simple Calculus on Tensors in the Log-Euclidean Framework
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Non-centrosymmetric superconductors : introduction and overview
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First-principles calculations to investigate structural and thermodynamic properties of Ni2LaZ (Z = As, Sb and Bi) Heusler alloys
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A simplified method for calculating the debye temperature from elastic constants
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Superconducting phosphides of the transition metals
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Elastic constants versus melting temperature in metals
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Template-free synthesis of porous Mo3P/MoP nanobelts as efficient catalysts for hydrogen generation
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Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures
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Elastic constants of cubic crystals
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Stability and elastic properties of Y–C binary compounds investigated by first principles calculations
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Anisotropic elastic properties of the Ca–Pb compounds
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Effect of boron incorporation into the carbon-site in Nb2SC MAX phase: Insights from DFT
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DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti)
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Phonon spectrum, thermal expansion and heat capacity of UO2 from first-principles
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Mechanical behaviors, lattice thermal conductivity and vibrational properties of a new MAX phase Lu2SnC
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First-principle studies of Ca–X (X=Si,Ge,Sn,Pb) intermetallic compounds
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Interrelations among zero-field critical current density, irreversibility field and pseudogap in hole doped high-Tc cuprates
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A comprehensive DFT based insights into the physical properties of tetragonal superconducting Mo5PB2
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Materials selection guidelines for low thermal conductivity thermal barrier coatings
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Superconductivity of molybdenum phosphides prepared at high pressure
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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
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Poisson's ratio and modern materials
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Phonon properties of graphene derived from molecular dynamics simulations
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Chemically stable new MAX phase V 2 SnC: a damage and radiation tolerant TBC material
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Optical properties of rocksalt and zinc blende AlN phases: First-principles calculations
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Elastic constants of polycrystals with generally anisotropic crystals
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A model of hardness and fracture toughness of solids
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First-principles insights into mechanical, optoelectronic, and thermo-physical properties of transition metal dichalcogenides ZrX2 (X = S, Se, and Te)
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XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
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ELATE: an open-source online application for analysis and visualization of elastic tensors
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Self-Consistent Equations Including Exchange and Correlation Effects
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Transition Temperature of Strong-Coupled Superconductors
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Lower limit to the thermal conductivity of disordered crystals
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Theoretical investigation of the bonding and elastic properties of nanolayered ternary nitrides
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How to estimate hardness of crystals on a pocket calculator
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Necessary and sufficient elastic stability conditions in various crystal systems
inferredcites →https://doi.org/10.1103/physrevb.99.184513openalex-extracted
Nodeless superconductivity and preserved time-reversal symmetry in the noncentrosymmetric Mo3P superconductor
inferredcites →https://doi.org/10.1103/physrevlett.101.055504openalex-extracted
Universal Elastic Anisotropy Index
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.78.4063openalex-extracted
First-Principles Determination of the Soft Mode in Cubic ZrO 2
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Hardness, Toughness, and Brittleness: An Indentation Analysis
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Mechanical and electronic properties of Ti 2 AlN and Ti 4 AlN 3 : a first-principles study
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Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite
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First principles methods using CASTEP
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First-principles study of structural, electronic and elastic properties of Nb4AlC3
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First-Principles Prediction of Pressure Dependent Mechanical, Electronic, Optical, and Superconducting State Properties of NaC6: A Potential High-Tc Superconductor
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Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure - a first-principles study
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First-Principles Calculations on Elasticity and Anisotropy of Tetragonal Tungsten Dinitride under Pressure
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The Crystal Structure of Mo3P.
inferredcites →https://doi.org/10.48550/arxiv.2305.12690openalex-extracted
Structural, elastic, electronic, bonding, thermo-mechanical and optical properties of predicted NbAlB MAB phase in comparison to MoAlB: DFT based ab-initio insights
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