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Structural, electronic, elastic and vibrational properties of BiAlO3: A first principles study

https://doi.org/10.1016/j.jallcom.2013.05.158
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle .
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Anisotropy in Single-Crystal Refractory Compounds
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Lehrbuch der Kristallphysik
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Ab initio study of structural and electronic properties of BiAlO3 and BiGaO3
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First-principles study of structural, elastic, electronic, and optical properties of hexagonal BiAlO3
inferredcites →https://doi.org/10.1016/j.physleta.2010.11.013openalex-snapshot
Stability of BiAlO3 and its vacancy defects: A first-principles study
inferredcites →https://doi.org/10.1016/j.solidstatesciences.2008.08.006openalex-snapshot
Structural, elastic, electronic and optical properties of the cubic perovskite BiAlO3
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Physical Properties of Crystals
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Theoretical Prediction of New High-Performance Lead-Free Piezoelectrics
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High-Pressure Synthesis, Crystal Structures, and Properties of Perovskite-like BiAlO3 and Pyroxene-like BiGaO3
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Bismuth Aluminate: A New High-TCLead-Free Piezo-/ferroelectric
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Significant second-harmonic generation in two lead-free polar oxides BiInO3 and BiAlO3: A first-principles investigation
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Lattice, elastic, polarization, and electrostrictive properties of BaTiO3 from first-principles
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Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2
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A quantitative demonstration of the grain boundary diffusion mechanism for the oxidation of metals
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XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
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Physical Properties of Crystals – Their Representation by Tensors and Matrices
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The Elastic Behaviour of a Crystalline Aggregate
inferredcites →https://doi.org/10.1088/0953-8984/14/11/302openalex-snapshot
The SIESTA method for ab initio order- N materials simulation
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Ab initioelastic constants for the lonsdaleite phases of C, Si and Ge
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Elastic properties of mono- and polycrystalline hexagonal AlB2-like diborides of s, p and d metals from first-principles calculations
inferredcites →https://doi.org/10.1088/0953-8984/21/23/236006openalex-snapshot
Electronic and magnetic properties of the monoclinic phase BiCrO3from first-principles studies
inferredcites →https://doi.org/10.1103/physrevb.1.910openalex-snapshot
Microscopic Theory of Force Constants in the Adiabatic Approximation
inferredcites →https://doi.org/10.1103/physrevb.42.6416openalex-snapshot
Lattice dynamics and origin of ferroelectricity in BaTiO 3 : Linearized-augmented-plane-wave total-energy calculations
inferredcites →https://doi.org/10.1103/physrevb.43.1993openalex-snapshot
Efficient pseudopotentials for plane-wave calculations
inferredcites →https://doi.org/10.1103/physrevb.47.2493openalex-snapshot
Pressure dependence of the elastic moduli in aluminum-rich Al-Li compounds
inferredcites →https://doi.org/10.1103/physrevb.53.r10441openalex-snapshot
Self-consistent order- N density-functional calculations for very large systems
inferredcites →https://doi.org/10.1103/physrevb.58.6224openalex-snapshot
Dynamical atomic charges: The case of AB O 3 compounds
inferredcites →https://doi.org/10.1103/physrevb.61.272openalex-snapshot
Ab initiocalculations of phonons in LiNbO3
inferredcites →https://doi.org/10.1103/physrevb.72.214105openalex-snapshot
First principles study of the multiferroics BiFeO3 , Bi2FeCrO6 , and BiCrO3 : Structure, polarization, and magnetic ordering temperature
inferredcites →https://doi.org/10.1103/physrevb.75.245209openalex-snapshot
First-principles study of the cubic perovskites BiMO3 ( M=Al , Ga, In, and Sc)
inferredcites →https://doi.org/10.1103/physrevb.77.134105openalex-snapshot
Elastic constants and volume changes associated with two high-pressure rhombohedral phase transformations in vanadium
inferredcites →https://doi.org/10.1103/physrevb.80.052102openalex-snapshot
Elastic properties of cubic and rhombohedral BiFeO3 from first-principles calculations
inferredcites →https://doi.org/10.1103/physrevb.83.174438openalex-snapshot
Ferromagnetic resonance in microwires and nanowires
inferredcites →https://doi.org/10.1103/physrevlett.48.1425openalex-snapshot
Efficacious Form for Model Pseudopotentials
inferredcites →https://doi.org/10.1103/physrevlett.78.4063openalex-snapshot
First-Principles Determination of the Soft Mode in Cubic ZrO 2
inferredcites →https://doi.org/10.1146/annurev.matsci.31.1.1openalex-snapshot
Synthesis and Design of Superhard Materials
inferredcites →https://doi.org/10.1201/9781482283051openalex-snapshot
Introduction to Ferroic Materials

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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A computational study for mechanical, thermoelectric and optoelectronic applications of BiAlO3 under static pressure
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Systematic study of elastic, electronic, optical and thermoelectric properties of cubic BiBO3 and BiAlO3 compounds at different pressure by using ab-initio calculations
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