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–based materials by Density Functional Theory: Ferroelectric perovskites, such as BaTiO3 (BTO), are promising materials for electro-optic modulators (EOMs) in photonic quantum computers owing
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that operate at room temperature. In this project, Density Functional Theory (DFT) calculations will be used to simulate defect structures of h-BN, like substitutional, vacancy and interstitial defects
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