Electronic and structural properties of a4dperovskite: Cubic phase ofSrZrO3
نویسندگان
چکیده
منابع مشابه
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15 صفحه اولElectronic and structural properties of a 4d perovskite: Cubic phase of SrZrO3
First-principles density-functional calculations are performed within the local-density approximation to study the electronic properties of SrZrO3, an insulating 4d perovskite, in its high-temperature cubic phase, above 1400 K, as well as the generic 3d perovskite SrTiO3, which is also a d 0 insulator and cubic above 105 K, for comparison reasons. The energy bands, density of states, and charge...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2003
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.68.035119