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Title: Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T{sub C} Ferromagnetic Spintronics Material

Abstract

From the basis of ab initio electronic structure calculations which include the effects of thermally excited magnetic fluctuations, we predict Mn-stabilized cubic zirconia to be ferromagnetic above 500 K. We find this material, which is well known both as an imitation diamond and as a catalyst, to be half-metallic with the majority and minority spin Mn impurity states lying in zirconia's wide gap. The Mn concentration can exceed 40%. The high-T{sub C} ferromagnetism is robust to oxygen vacancy defects and to how the Mn impurities are distributed on the Zr fcc sublattice. We propose this ceramic as a promising future spintronics material.

Authors:
 [1];  [2]; ; ;  [1]; ; ;  [3]; ;  [4];  [1];  [5]
  1. Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle (Saale) (Germany)
  2. (United Kingdom)
  3. Martin-Luther-Universitaet Halle-Wittenberg, Fachbereich Physik, D-06099 Halle (Germany)
  4. Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom)
  5. (Czech Republic)
Publication Date:
OSTI Identifier:
20861586
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters; Journal Volume: 98; Journal Issue: 1; Other Information: DOI: 10.1103/PhysRevLett.98.016101; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CATALYSTS; CERAMICS; DIAMONDS; ELECTRONIC STRUCTURE; FCC LATTICES; FERROMAGNETISM; IMPURITIES; OXYGEN; SPIN; VACANCIES; ZIRCONIUM; ZIRCONIUM OXIDES

Citation Formats

Ostanin, S., Department of Physics, University of Warwick, Coventry CV4 7AL, Ernst, A., Sandratskii, L. M., Bruno, P., Daene, M., Hergert, W., Mertig, I., Hughes, I. D., Staunton, J. B., Kudrnovsky, J., and Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Prague 8. Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T{sub C} Ferromagnetic Spintronics Material. United States: N. p., 2007. Web. doi:10.1103/PHYSREVLETT.98.016101.
Ostanin, S., Department of Physics, University of Warwick, Coventry CV4 7AL, Ernst, A., Sandratskii, L. M., Bruno, P., Daene, M., Hergert, W., Mertig, I., Hughes, I. D., Staunton, J. B., Kudrnovsky, J., & Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Prague 8. Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T{sub C} Ferromagnetic Spintronics Material. United States. doi:10.1103/PHYSREVLETT.98.016101.
Ostanin, S., Department of Physics, University of Warwick, Coventry CV4 7AL, Ernst, A., Sandratskii, L. M., Bruno, P., Daene, M., Hergert, W., Mertig, I., Hughes, I. D., Staunton, J. B., Kudrnovsky, J., and Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Prague 8. Fri . "Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T{sub C} Ferromagnetic Spintronics Material". United States. doi:10.1103/PHYSREVLETT.98.016101.
@article{osti_20861586,
title = {Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T{sub C} Ferromagnetic Spintronics Material},
author = {Ostanin, S. and Department of Physics, University of Warwick, Coventry CV4 7AL and Ernst, A. and Sandratskii, L. M. and Bruno, P. and Daene, M. and Hergert, W. and Mertig, I. and Hughes, I. D. and Staunton, J. B. and Kudrnovsky, J. and Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Prague 8},
abstractNote = {From the basis of ab initio electronic structure calculations which include the effects of thermally excited magnetic fluctuations, we predict Mn-stabilized cubic zirconia to be ferromagnetic above 500 K. We find this material, which is well known both as an imitation diamond and as a catalyst, to be half-metallic with the majority and minority spin Mn impurity states lying in zirconia's wide gap. The Mn concentration can exceed 40%. The high-T{sub C} ferromagnetism is robust to oxygen vacancy defects and to how the Mn impurities are distributed on the Zr fcc sublattice. We propose this ceramic as a promising future spintronics material.},
doi = {10.1103/PHYSREVLETT.98.016101},
journal = {Physical Review Letters},
number = 1,
volume = 98,
place = {United States},
year = {Fri Jan 05 00:00:00 EST 2007},
month = {Fri Jan 05 00:00:00 EST 2007}
}
  • The crystal structure of the layered perovskite La{sub 1.2}Sr{sub 1.8}Mn{sub 2}O{sub 7} has been studied under hydrostatic pressure up to {approximately}6kbar, in the paramagnetic and ferromagnetic states, with neutron powder diffraction. The compressibility of the Mn-O apical bonds in the double layer of MnO{sub 6} octahedra changes sign from the paramagnetic insulator (PI) to the ferromagnetic metal (FM) state; in the FM state the Mn-O-Mn linkage between MnO{sub 2} planes expands under applied pressure, whereas they contract in the PI state. This counterintuitive behavior is interpreted in terms of {ital exchange striction,} which reflects the competition between super and doublemore » exchange. An increase of the Mn moment with applied pressure in the FM state is consistent with a positive dT{sub C}/dP, as well as a cant angle {theta}{sub 0} between the magnetizations of neighboring MnO{sub 2} sheets that decreases with pressure. {copyright} {ital 1997} {ital The American Physical Society}« less
  • We investigate the possibility of superconductivity and estimate the transition temperature /ital T//sub /ital c// in a system in which the bare electron-electron interaction /ital V/(/ital q/) is arbitrary but basically repulsive. We employ the recently developed variational method which is believed to be the best one for the purpose at present. Through this study, we consider a concept of the Cooper pair originating not from an attractive but rather a repulsive bare potential. We find a special form for /ital V/(/ital q/) to obtain /ital T//sub /ital c// over 200 K in the dilute electron-gas system. We discuss themore » band structure near the Fermi surface to produce such /ital V/(/ital q/)'s and propose a new exciton mechanism.« less
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  • Here we report prediction of two new ternary chalcogenides that can potentially be used as p-type transparent conductors along with experimental synthesis and initial characterization of these previously unknown compounds, Cs 2Zn 3Ch 4 (Ch = Se, Te). In particular, the structures are predicted based on density functional calculations and confirmed by experiments. Phase diagrams, electronic structure, optical properties, and defect properties of Cs 2Zn 3Se 4 and Cs 2Zn 3Te 4 are calculated to assess the viability of these materials as p-type TCMs. Cs 2Zn 3Se 4 and Cs 2Zn 3Te 4, which are stable under ambient air, displaymore » large optical band gaps (calculated to be 3.61 and 2.83 eV, respectively) and have small hole effective masses (0.5-0.77 m e) that compare favorably with other proposed p-type TCMs. Defect calculations show that undoped Cs2Zn3Se4 and Cs2Zn3Te4 are p-type materials. However, the free hole concentration may be limited by low-energy native donor defects, e.g., Zn interstitials. Lastly, non-equilibrium growth techniques should be useful for suppressing the formation of native donor defects, thereby increasing the hole concentration.« less
  • Neutron diffuse scattering in the form of rod-like features has been observed in single crystals of the layered CMR material La{sub 2{minus}2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7} (x=0.4,0.36), consistent with the presence of 2D ferromagnetic spin correlations. These diffuse features are observed over a wide temperature region. However, their coherence length does not appear to diverge at T{sub C}, although there is evidence of the development of three-dimensional correlations around ferromagnetic reflections of the 3D-ordered magnetic structure close to T{sub C}. Quasi-elastic neutron scattering on a ceramic sample of x=0.3 shows that the lifetime of these ferromagnetic correlations increases at T{r_arrow}T{sub C}.more » They exhibit a spin-diffusion constant above T{sub C} of {approximately}5meV{Angstrom}{sup 2}, much lower than that reported for La{sub 2/3}Ca{sub 1/3}MnO{sub 3}. We discuss the relationship of these magnetic correlations to models of the ferromagnetic transition in CMR compounds. {copyright} {ital 1998 American Institute of Physics.}« less