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Title: Localization and magnetism of the resonant impurity states in Ti doped PbTe

The problem of localization of the resonant impurity states is discussed for an illustrative example of Titanium doped Lead Telluride. Electronic structure of PbTe:Ti is studied using first principles methods, densities of states, and Bloch spectral functions are analyzed. We show that Ti creates resonant states in the conduction band of PbTe, however, spectral functions of the system strongly suggest localization of these states and show poor hybridization with PbTe electronic structure. The contrast between results presented here and previously reported spectral functions for PbTe:Tl correlate very well with the different effect of those impurities on thermopower (S) of PbTe, which is large increase is S for PbTe:Tl and almost no effect on S for PbTe:Ti. Moreover, magnetic properties of the system are studied and formation of magnetic moments on Ti atoms is found, both for ordered (ferromagnetic) and disordered (paramagnetic-like) phases, showing that PbTe:Ti can be a magnetic semiconductor.
Authors:
 [1]
  1. Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Al. Mickiewicza 30, Krakow 30-059, Poland and Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)
Publication Date:
OSTI Identifier:
22350834
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 13; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; DENSITY; DOPED MATERIALS; ELECTRONIC STRUCTURE; IMPURITIES; LEAD TELLURIDES; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; PARAMAGNETISM; SPECTRAL FUNCTIONS; TITANIUM ADDITIONS