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• Published Subscription 30 Nov 2017

  Structural and Elastic Properties Calculation of CdX (X= S, Se, Te) Semiconductors from First-Principles

  By Bramha P Pandey

  Abstract: First-principle calculations have been performed to calculate the structural and elastic properties of wurzite (wz) CdX(X= S, Se, Te) chalcogenides semiconductor using the plane wave pseudo-potential method within the projected augmented wave approximation (PAW),which works directly with full all electron (AE) wavefunctions and AE potentials. The values of lattice constant (a) and (c), internal parameter (u), Bulk modulus (B), and reduce pressure derivative bulk modulus ( ) using equation of …

  Published in International Journal of Applied Nanotechnology · Vol. 3, Issue 2, 2017 · pp. 8–15 Read article →