Atomic and Electronic Structure of Oxides
T Zacherle, PC Schmidt, M Martin - Resistive Switching: From …, 2016 - Wiley Online Library
T Zacherle, PC Schmidt, M Martin
Resistive Switching: From Fundamentals of Nanoionic Redox …, 2016•Wiley Online LibraryIn this chapter, we start with a brief introduction to the formalism of describing electronic
states in solids. We explain the electronic structure of (i) different crystalline materials
(metals, oxides, and ionic crystals),(ii) amorphous and crystalline bulk and surface states,
and (iii) states of point defects in oxides. Then, we present the electronic band structures of
selected binary oxides MeOx (Me= Al, Sr, Zn, Ti, Ni, Mn, Nb, V, Ta) and the ternary oxide
SrTiO3 obtained from the density functional approach using a hybrid exchange potential …
states in solids. We explain the electronic structure of (i) different crystalline materials
(metals, oxides, and ionic crystals),(ii) amorphous and crystalline bulk and surface states,
and (iii) states of point defects in oxides. Then, we present the electronic band structures of
selected binary oxides MeOx (Me= Al, Sr, Zn, Ti, Ni, Mn, Nb, V, Ta) and the ternary oxide
SrTiO3 obtained from the density functional approach using a hybrid exchange potential …
Summary
In this chapter, we start with a brief introduction to the formalism of describing electronic states in solids. We explain the electronic structure of (i) different crystalline materials (metals, oxides, and ionic crystals), (ii) amorphous and crystalline bulk and surface states, and (iii) states of point defects in oxides. Then, we present the electronic band structures of selected binary oxides MeOx (Me = Al, Sr, Zn, Ti, Ni, Mn, Nb, V, Ta) and the ternary oxide SrTiO3 obtained from the density functional approach using a hybrid exchange potential. From these data, we analyze the systematic trends in the ordering of the electronic states as a function of Me and x. Furthermore, we show the effect of magnetic ordering and changes in the electronic structure due to oxygen vacancies. Finally, we discuss the Ellingham diagram for binary oxides.