Quantum chemical investigation of lanthanum doping effects in tetragonal and rhombohedral PZT materials
tructural and electronic properties of lead-zirconate-titanate (PZT) materials doped with a lanthanum (La) impurity are studied using a quantum-chemical approach based on the Hartree-Fock theory. Performed geometry optimization in the defective crystals shows that the atomic movements are predominan...
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| 格式: | article |
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2008
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| 在线阅读: | http://dspace.utpl.edu.ec/handle/123456789/19293 |
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