Volume-dependent electron localization in ceria

Volume-dependent electron localization in ceria

Electron localization in defective ceria films: a study with scanning-tunneling microscopy and density-functional theory.

Scanning-tunneling microscopy and density-functional theory have been employed to identify the spatial correlation between an oxygen vacancy and the associated Ce(3+) ion pair in a defective CeO(2)(111) film. The two Ce(3+) ions can occupy different cationic shells around the vacancy. The resulting variation in the chemical environment leads to a splitting of the filled Ce(3+) f levels, which i...

Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria.

We examine the real space structure and the electronic structure (particularly Ce4f electron localization) of oxygen vacancies in CeO(2) (ceria) as a function of U in density functional theory studies with the rotationally invariant forms of the LDA+U and GGA+U functionals. The four nearest neighbor Ce ions always relax outwards, with those not carrying localized Ce4f charge moving furthest. Se...

Laser Radiation Driven Localization and Delocalization of Electron Spins in DNA Sequences

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Dosimetric Evaluation of Target Volume in Breast Boost Radiotherapy: Comparison of Electron and Photon Beam

Background and purpose: Breast‑conserving surgery followed by radiation therapy to the whole breast is now recognized as a standard strategy in patients with breast cancer. Recommended technique for radiotherapy is whole breast irradiation followed by boost to the tumor bed. This study aimed to compare the dosimetric parameters of electron and photon beams for boosting irradia­tion in post‑lump...