Lattice contraction of cerium hydrides from first-principles LDA + U calculations

First principles methods using CASTEP

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Natural Sciences, Chemistry, Physics +17

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the<b>LDA</b>+<i>U</i>method

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Yttrium and lanthanum hydride films with switchable optical properties

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Electronic structure, mechanical properties and thermal conductivity of Ln2Zr2O7 (Ln=La, Pr, Nd, Sm, Eu and Gd) pyrochlore

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Natural Sciences, Materials Science, Physics +15