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Theoretical Study of Half-Heusler CsXAs (X = Ca, Sr, and Ba) from First Principle Calculations.
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- Journal of Superconductivity & Novel Magnetism, 2022, v. 35, n. 11, p. 3291, doi. 10.1007/s10948-022-06378-3
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First-Principles Study on Electronic, Magnetic, Optical, Mechanical, and Thermodynamic Properties of Semiconducting Gadolinium Phosphide in GGA, GGA+U, mBJ, GGA+SOC and GGA+SOC+U approaches.
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- Journal of Superconductivity & Novel Magnetism, 2021, v. 34, n. 5, p. 1523, doi. 10.1007/s10948-021-05877-z
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A Computational Investigation on Structural, Mechanical, Electronic, Magnetic, Thermoelectric, and Optical Properties of CrXPb (X = Sc, Ti) Half-Heusler Alloys.
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- Journal of Superconductivity & Novel Magnetism, 2021, v. 34, n. 3, p. 781, doi. 10.1007/s10948-020-05791-w
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- Article
Theoretical investigation of double perovskite A<sub>2</sub>NbTbO<sub>6</sub> (A = Ca, Sr, Ba) for optoelectronic applications under DFT approach.
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- Optical & Quantum Electronics, 2024, v. 56, n. 7, p. 1, doi. 10.1007/s11082-024-07077-0
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The investigation of structural, electronic, thermal, and elastic properties of X<sub>2</sub>ZnH<sub>4</sub> (X = K, Rb and Cs) for hydrogen storage applications: DFT study.
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- Optical & Quantum Electronics, 2024, v. 56, n. 4, p. 1, doi. 10.1007/s11082-024-06308-8
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Optoelectronic and thermal properties of cubic SiMO<sub>3</sub> (M = Sn, Pb) oxides for device application: a first principle study.
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- Optical & Quantum Electronics, 2020, v. 52, n. 10, p. N.PAG, doi. 10.1007/s11082-020-02521-3
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- Article
Ab-initio calculation of electronic, mechanical, optical and phonon properties of ZrXH<sub>3</sub>(X=Co, Ni and Cu): A key towards potential hydrogen storage materials.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2022, v. 36, n. 17, p. 1, doi. 10.1142/S0217979222500904
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First‐principle investigation of XSrH<sub>3</sub> (X = K and Rb) perovskite‐type hydrides for hydrogen storage.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 24, p. 1, doi. 10.1002/qua.26419
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- Article