Defect Energy Levels in HfO2, ZrO2, La2O3 and SrTiO3
AbstractDefect energy levels of oxygen vacancies in various high K oxides HfO2, ZrO2, La2O3 and SrTiO3 have been calculated using methods which give the correct band gap, such as the screened exchange and weighted density approximation.
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Extending the simple weighted density approximation for a hard-sphere fluid to a Lennard–Jones fluid
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