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Title: Features of the band structure and conduction mechanisms of n-HfNiSn semiconductor heavily Lu-doped

The crystal and electronic structures, energy, kinetic, and magnetic characteristics of n-HfNiSn semiconductor heavily doped with a Lu acceptor impurity in the ranges T = 80–400 K and N{sub A}{sup Lu} ≈ 1.9 × 10{sup 20}−1.9 × 10{sup 21} cm{sup −3} (x = 0.01–0.10) at H ≤ 10 kG is studied. The nature of the structural-defect generation mechanism leading to changes in the band gap and the degree of semiconductor compensation is determined. Its essence is the simultaneous reduction and elimination of donor-type structural defects due to the displacement of ∼1% of Ni atoms from the Hf (4a) site, the generation of acceptor-type structural defects by substituting Ni atoms with Lu atoms at the 4c site, and the generation of donor-type defects such as vacancies at the Sn (4b) site. The results of calculations of the electronic structure of Hf{sub 1−x}Lu{sub x}NiSn are in agreement with experimental data. The results are discussed within the model of a heavily doped and compensated Shklovskii-Efros semiconductor.
Authors:
 [1] ;  [2] ;  [3] ; ;  [4] ; ; ;  [3]
  1. National Academy of Sciences of Ukraine, Pidstryhach Institute for Applied Problems of Mechanics and Mathematics (Ukraine)
  2. Universitet Wien, Institut für Physikalische Chemie (Austria)
  3. National University “Lvivs’ka Politekhnika” (Ukraine)
  4. Polish Academy of Sciences, Institute of Low Temperature and Structure Research (Poland)
Publication Date:
OSTI Identifier:
22470056
Resource Type:
Journal Article
Resource Relation:
Journal Name: Semiconductors; Journal Volume: 49; Journal Issue: 3; Other Information: Copyright (c) 2015 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; CRYSTALS; DOPED MATERIALS; ELECTRONIC STRUCTURE; ENERGY GAP; HAFNIUM; IMPURITIES; INTERMETALLIC COMPOUNDS; LUTETIUM ADDITIONS; NICKEL; N-TYPE CONDUCTORS; REDUCTION; TIN; VACANCIES