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Works cited by this work

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Projector augmented-wave method

From ultrasoft pseudopotentials to the projector augmented-wave method

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Structural, electronic, magnetic and elastic properties of xenon-based fluoroperovskites XeMF<sub>3</sub> (M = Ti, V, Zr, Nb) <i>via</i> DFT studies

Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF<sub>3</sub> (M = Rb and Cs) via Density Functional Theory Computation

Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl<sub>3</sub> (X = Rb, Cs): a first-principles calculations

First-principles calculations of mechanical properties of TiC and TiN

First principle study of structural, electronic, optical and mechanical properties of cubic fluoro-perovskites: (CdXF3, X = Y, Bi)

Thermophysical Properties of Materials

Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl<sub>3</sub>Compound: An ab initio Study

First principles study on the electronic and optical properties of B-site ordered double perovskite Sr2MMoO6 (M=Mg, Ca, and Zn)

The electronic and optical properties of the fluoroperovskite BaXF3 (X=Li, Na, K, and Rb) compounds

Comparative study of perovskite-type scintillator materials CsCaI <sub>3</sub> and KCaI <sub>3</sub> via first-principles calculations

Insight into the physical properties of the inter-metallic titanium-based binary compounds

A Density Functional Theory Investigations of Half-Heusler Compounds RhVZ (Z = P, As, Sb)

First-principles study on the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2PtI6 and Rb2PtI6

Study of electronic, magnetic, optical and elastic properties of Cu2MnAl a gapless full Heusler compound

Phase transition and elasticity of gallium arsenide under pressure

First principles study of structural and optoelectronic properties of Li based half Heusler alloys

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Computational prediction of structural, electronic, and optical properties and phase stability of double perovskites K<sub>2</sub>SnX<sub>6</sub> (X = I, Br, Cl)

Predicting efficiencies &gt;25% A3MX3 photovoltaic materials and Cu ion implantation modification

A first principle comparison of arsenic-based double halide perovskite materials for photovoltaic and optoelectronic application

An investigation on strain-incited electronic and optical properties of novel inorganic cubic material Sr3AsCl3