First-principles study of rare-earth oxides
نویسندگان
چکیده
منابع مشابه
Laser Spectroscopy of Rare Earth Oxides
Recent developments in the spectroscopy of the rare earth oxides using laser techniques are reviewed. A Ligand Field theoretical approach describing the electronic states is outlined along with the various experimental techniques that have been used as diagnostic tools to test various aspects of the theory. Results for several molecules are outlined. INTRODUCTION The emission and absorption spe...
متن کاملFirst-principles study of spin-disorder resistivity of heavy rare-earth metals: Gdâ•fiTm series
First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series" (2012). Kirill Belashchenko Publications. 11. Electrical resistivity of heavy rare-earth metals has a dominant contribution from thermal spin-disorder scattering. Here this spin-disorder resistivity is calculated for the Gd-Tm series of metals in the paramagnetic state. Calculations are performed withi...
متن کاملFirst-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series
Electrical resistivity of heavy rare-earth metals has a dominant contribution from thermal spin-disorder scattering. Here this spin-disorder resistivity is calculated for the Gd-Tm series of metals in the paramagnetic state. Calculations are performed within the tight-binding linear muffin-tin orbital method using two complementary methods: (1) averaging of the Landauer-Büttiker conductance of ...
متن کاملFirst principles studies on band structures and density of states of graphite surface oxides
Graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. Structural and electronic properties for graphite-oxygen complexes have been explored using first-principles total-energy calculations within the local density approximation (LDA). Band structures and density of states for the propose carbon 3D models are reported. A finite energy gap and...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 2005
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.72.205118