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has been cited by the following article:

• TITLE: First Principle Study of Cubic SrMO3 Perovskites (M = Ti, Zr, Mo, Rh, Ru)

  AUTHORS: Avinash Daga, Smita Sharma, K. S. Sharma

  KEYWORDS: Ab-initio Method, Perovskite, LDA Approximation, ABINIT

  JOURNAL NAME: Journal of Modern Physics, Vol.2 No.8, August 31, 2011

  ABSTRACT: Lattice parameter and corresponding total free energy have been computed for cubic SrMO3 perovskites (M = Ti, Zr, Mo, Rh, Ru) using the first principle approach within Density functional theory. The results have been calculated using local density approximation (LDA) method. It is found that the calculated lattice parameter for all transition metal oxides are in good agreement with the available experimental data. The total free energy corresponding to this lattice constant has been calculated along with different components of the total free energy. All these calculations have been carried out using ABINIT computer code.