Variation in electronic and optical responses due to phase transformation of SrZrO3 from cubic to orthorhombic under high pressure: a computational insight

In this paper, phase transition in SrZrO 3 under high pressure has been investigated computationally using first principles calculation with ultra-soft pseudo-potential and generalized gradient approximation suggested by Perdew, Burke, and Ernzerhof correlation functional. The point where the enthal...

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