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Using first-principles theory and further verified by the experimental results, we have studied the electronic structure, mechanical and thermal properties of La2B2O7(BZr, Sn, Hf and Ge) pyrochlore. It is shown that the La2B2O7 pyrochlore are charge-transfer-type insulators with the strong ionic bonding. The calculated band gap of La2Zr2O7, La2Sn2O7, La2Hf2O7, and La2Ge2O7 are 4.01, 3.05, 3.13 and...
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