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Works citing this work

Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na<sub>2</sub>SiO<sub>3</sub>) under compressive pressure

Exploring the structural, opto-electronics and elastic properties of fluoro-perovskites KXF3 (X = Ir, Rh): A first-principles study

Investigation of n-ZnO/p-Si and n-TiO<sub>2</sub>/p-Si Heterojunction Solar Cells: TCAD + DFT

Electronic, mechanical and piezoelectric properties of glass-like complex Na<sub>2</sub>Si<sub>1−<i>x</i></sub>Ge<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0.0, 0.25, 0.50, 0.75, 1.0)

A Thorough Investigation of Electronic, Optical, Mechanical, and Thermodynamic Properties of Stable Glasslike Sodium Germanate under Compressive Hydrostatic Pressure: Ab Initio Study

Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics

Computational investigation of novel Cs2BSbF6 (B = Ti, In): A promising material for optoelectronic and thermoelectric applications

Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)

Investigation of the structural, electronic, magnetic, mechanical, and optical properties of calcium-based CaJO3 (J = Mn, Ru) perovskites: A first-principle computations

Pressure-sensitive germanate glass-Li <sub>2</sub> GeO <sub>3</sub> , a multifunctional energy material: a theoretical study

Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li<sub>2</sub>GePbH<sub>6</sub> hydride perovskite: a DFT investigation

Synthesizable Two-Dimensional Haeckelites with Auxetic Behavior and Multifunctional Properties: A Computational Study Integrating Machine Learning Interatomic Potentials

Data-driven discovery of novel synthesizable MAX phase materials

Computational modeling of novel perovskite oxides InXO3 (Be, Ca): Phase stable and sustainable materials for optoelectronic devices

Synergistic experimental–theoretical DFT study on the photocatalytic properties of fibrous silica–titania and MoS <sub>2</sub> nanostructures