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Publications (5/5 displayed)
- 2024Structural, Elastic, Electronic, and Magnetic Properties of Nd‐Doped NaScGe Half‐Heusler Compound by Ab‐Initio Methodcitations
- 2023Tribological properties of DLC and GLC coating for automotive engine components application under lubrication
- 2022A new semiconducting full Heusler Li<sub>2</sub>BeX (X = Si, Ge and Sn): first-principles phonon and Boltzmann calculationscitations
- 2021Structural, electronic and thermodynamic investigation of Ag<sub>2</sub>GdSi, Ag<sub>2</sub>GdSn and Ag<sub>2</sub>Gd Pb Heusler alloys: First-principles calculationscitations
- 2016Effect of Cadmium Concentration on Structural, Optical, and Electrical Properties of Cu2Zn1−xCdxSnS4 Quinternary Alloy Nanofibres, Synthesized by Electrospinning Techniquecitations
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article
Structural, electronic and thermodynamic investigation of Ag<sub>2</sub>GdSi, Ag<sub>2</sub>GdSn and Ag<sub>2</sub>Gd Pb Heusler alloys: First-principles calculations
Abstract
<jats:title>Abstract</jats:title><jats:p>The strcutral, electronic and thermodynamic proerties of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are investigated using first-principles calculations of density functional theory (DFT) through linearized augmented plane waves (FP-LAPW) implemented within Wien2k software package. Structural, electronic and thermodynamic investigations of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are performed. Moreover, details regarding the lattice parameters, bulk modulus and its pressure derivative, band structure and density of states are elaborated upon.</jats:p>