Formation of localized hole states in complex oxides
H. Donnerberg, S. Toebben, A. Birkholz
Abstract
Defect electrons (holes) play an important role in most technologically important complex oxides; many of which possess perovskite-related structures. In this contribution we present the first detailed characterization of localized hole states in such materials. Our investigations employ advanced embedded-cluster calculations which consistently include electron correlations and defect-induced lattice relaxations. This is necessary in order to account for the variety of possible hole-state manifestations.
Create a lesson
Related papers
Longitudinal and Transverse Thermoelectric Properties in Topological Quantum Materials
Jyoti Duhan, Anil Kumar B. M., Satya N. Guin et al.
Thermally Conditioned Time-Series Forecasting of Grain Growth in Polycrystalline Materials
Eliane Younes, Elie Hachem, Marc Bernacki
Evolutionary Design of Interpretable Spatial Descriptors for Structure-Property Relationship Discovery
Aditya Raghavan, Sergei V Kalinin
Millikelvin magnetometry up to 30~T using a multi-cross micro-Hall sensor
Bingbing Tong, Yinina Ma, Zhenhua Zhao et al.
First-principles study of the formation of Group-IV--vacancy color centers in diamond
Xiangru Han, Adam Gali
Anomalous thermal transport in isotope-enriched germanium carbide
Wenjiang Zhou, Bai Song