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<i>Ab initio</i> functional-independent calculations of the clamped Pockels tensor of tetragonal barium titanate

Nicola Marzari, Michele Kotiuga
2025
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Nicola Marzari, Michele Kotiuga
2025
Journal Articles

Official source

Related publications (22)

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Related publications (22)

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Synthesizing high-quality epitaxial BaTiO3 (BTO) by means of high-vacuum chemical vapor deposition (HV-CVD) requires a precise control over precursor fluxes impinging onto the heated substrate surface so that the incorporation rates of all elements corresp ...

2025

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

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The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

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Amer Chemical Soc2024

<i>Ab initio</i> functional-independent calculations of the clamped Pockels tensor of tetragonal barium titanate

High-quality epitaxial BaTiO3 films grown by high-vacuum chemical vapor deposition for integrated electro-optical devices

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob&apos;s ladder

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder