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Work: Study of structural, electronic, optical and mechanical properties of K2ScCuF6 and K2YCuF6 perovskites via DFT calculations

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WINOPTACT: a computer program to calculate optical rotatory power and refractive indices from crystal structure data
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A comparative study between GGA, WC-GGA, TB-mBJ and GGA + U approximations on magnetocaloric effect, electronic, optic and magnetic properties of BaMnS 2 compound: DFT calculations and Monte Carlo simulations
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Works cited by this work

Spin–Orbit-Engineered Selective Transport of Photons in Plasmonic Nanocircuits with Panda-Patterned Transporters

Heterojunction‐Depleted Lead‐Free Perovskite Solar Cells with Coarse‐Grained B‐γ‐CsSnI<sub>3</sub> Thin Films

Enhanced Performance of Germanium Halide Perovskite Solar Cells through Compositional Engineering

Improvement of electron transfer efficiency during denitrification process by Fe-Pd/multi-walled carbon nanotubes: Possessed redox characteristics and secreted endogenous electron mediator

Design and Simulation of Cs<sub>2</sub>BiAgI<sub>6</sub> Double Perovskite Solar Cells with Different Electron Transport Layers for Efficiency Enhancement

<i>WINOPTACT</i>: a computer program to calculate optical rotatory power and refractive indices from crystal structure data

Potential Applications of Halide Double Perovskite Cs<sub>2</sub>AgInX<sub>6</sub> (X = Cl, Br) in Flexible Optoelectronics: Unusual Effects of Uniaxial Strains

A comparative study between GGA, WC-GGA, TB-mBJ and GGA + U approximations on magnetocaloric effect, electronic, optic and magnetic properties of BaMnS <sub>2</sub> compound: DFT calculations and Monte Carlo simulations

Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO<sub>3</sub> (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights

Periodic Density Functional Theory (PDFT) Simulating Crystal Structures with Microporous CHA Framework: An Accuracy and Efficiency Study

BaCo0.4Fe0.4Nb0.1Sc0.1O3-δ perovskite oxide with super hydration capacity for a high-activity proton ceramic electrolytic cell oxygen electrode

Investigation of heavy thallium perovskites TlGeX (X = Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study

Improved electrical resistivity-temperature characteristics of oriented hBN composites for inhibiting temperature-dependence DC surface breakdown

Design Strategies for Perovskite-Type High-Entropy Oxides with Applications in Optics

Simulating Crystal Structure, Acidity, Proton Distribution, and IR Spectra of Acid Zeolite HSAPO-34: A High Accuracy Study

An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs<sub>2</sub>AgBiBr<sub>6</sub> Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

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