Download or read book Theoretical Investigation of the Excitation Structure and Optical Properties of Titanium Vanadium and Their Oxides written by Martin W. Ribarsky and published by . This book was released on 1977 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Theoretical Investigation of the Excitation Structure and Optical Properties of Titanium Vanadium and Their Oxides written by Martin W. Ribarsky and published by . This book was released on 1979 with total page 13 pages. Available in PDF, EPUB and Kindle. Book excerpt: An investigation of the electronic excitation structure of the transition metal oxides was begun which included the effects of correlation of the excited electron with the surrounding medium, relaxation of the electrons around the hole left by the excitation, and the interaction of the excited electron with the hole. Recent theoretical and experimental work has shown that all these effects must be included in order to obtain a detailed understanding of the excitation structure, optical properties, lattice dynamics, and dielectric response of these oxides and many other materials. Local orbitals instead of the usual spatially extended Bloch representation were used. The local orbitals are especially useful in describing the d-electrons, which are localized in position and energy. The extensive codes necessary for the efficient calculation of multicenter integrals were constructed and assembled during the past year. The methods necessary for transforming the band states from the Bloch to the local orbitals representation were developed, and the methods for diagonalizing very large array were investigated. (Author).

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Download or read book First principles Investigations of Electronic Structures of Pristine and Doped Anatase Titanium Dioxide written by Yushan Wang and published by . This book was released on 2007 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chapters 4 through 6 are mainly concerned with insights into the mechanism of optical excitation in anatase TiO2. Chapters 7 and 8 are concerned with TiO2-based dilute magnetic semiconductors (DMS).

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