Parameter-Free Quasiparticle Calculations forYH3
نویسندگان
چکیده
منابع مشابه
Parameter-free quasiparticle calculations for YH3.
Electronic structure calculations for YH3 within the local density approximation result in a metallic ground state with the bands at the Fermi energy overlapping by more than 1 eV, whereas a band gap of 2.8 eV is deduced from optical experiments. Here, we report the results of parameter-free GW calculations which predict a fundamental gap of 1 eV. When we take into account electric dipole matri...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2000
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.85.2989