Transport properties, thermodynamic properties, and electronic structure ofSrRuO3
نویسندگان
چکیده
منابع مشابه
investigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولOrganic semiconductor interfaces: electronic structure and transport properties
Ž . Ž . Ultraviolet photoelectron spectroscopy UPS and X-ray photoelectron spectroscopy XPS have been used to investigate a wide range of metalrorganic and organicrorganic semiconductor interfaces. UPS was used to determine the binding energies of the highest occupied molecular orbitals and vacuum level positions, while XPS was used to find evidence of chemical interactions at these heterointer...
متن کاملElectronic structure and transport properties of atomic NiO spinvalves
Ab-initio quantum transport calculations show that short NiO chains suspended in Ni nanocontacts present a very strong spinpolarization of the conductance. The generalized gradient approximation we use here predicts a similiar polarization of the conductance as the one previously computed with non-local exchange, confirming the robustness of the result. Their use as nanoscopic spinvalves is pro...
متن کاملElectronic and transport properties of LiCoO2.
Using first principles density functional theory (DFT), the electronic and magnetic properties as well as the Li-ion migration in LiCoO2 have been studied with a gradient corrected functional. The magnetic properties were also investigated in addition using a gradient corrected functional in combination with an on-site repulsion U and a hybrid functional. We find LiCoO2 to be non-magnetic under...
متن کاملElectronic and transport properties of kinked graphene
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%...
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: 1996
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.53.4393