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Title: Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N

Abstract

We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling, and Berk so that it can deal with localization in multiband disordered systems with both diagonal and off-diagonal disorder with complicated potentials. We also introduce an ansatz for the momentum-resolved typical density of states that greatly improves the numerical stability of the method while preserving the independence of scattering events at different frequencies. Starting from the first-principles effective Hamiltonian, we apply this method to the diluted magnetic semiconductor Ga 1 - x Mn x N , and find the impurity band is completely localized for Mn concentrations x < 0.03 , while for 0.03 < x < 0.10 the impurity band has delocalized states but the chemical potential resides at or above the mobility edge. So, the system is always insulating within the experimental compositional limit ( x ≈ 0.10 ) due to Anderson localization. But, for 0.03 < x < 0.10 hole doping could make the system metallic, allowing double-exchange mediated, or enhanced, ferromagnetism. Finally, this developed method is expected to have a large impact on first-principles studies of Anderson localization.

Authors:
 [1];  [2];  [3];  [1];  [4];  [5];  [6];  [7];  [1];  [1]
  1. Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Physics and Astronomy, Center for Computation and Technology
  2. RWTH Aachen Univ. (Germany). Inst. of Inorganic Chemistry
  3. Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Physics and Astronomy
  4. Gwangju Inst. of Science and Technology (GIST), Gwangju (Korea). Dept. of Physics and Photon Science
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences, Computer Science and Mathematics Division
  6. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
  7. Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore (India). Theoretical Sciences Unit
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1393904
Alternate Identifier(s):
OSTI ID: 1338088
Grant/Contract Number:  
AC05-00OR22725; AC02-98CH10886
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 22; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Zhang, Yi, Nelson, R., Siddiqui, Elisha, Tam, K. -M., Yu, U., Berlijn, T., Ku, W., Vidhyadhiraja, N. S., Moreno, J., and Jarrell, M. Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.224208.
Zhang, Yi, Nelson, R., Siddiqui, Elisha, Tam, K. -M., Yu, U., Berlijn, T., Ku, W., Vidhyadhiraja, N. S., Moreno, J., & Jarrell, M. Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N. United States. https://doi.org/10.1103/PhysRevB.94.224208
Zhang, Yi, Nelson, R., Siddiqui, Elisha, Tam, K. -M., Yu, U., Berlijn, T., Ku, W., Vidhyadhiraja, N. S., Moreno, J., and Jarrell, M. 2016. "Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N". United States. https://doi.org/10.1103/PhysRevB.94.224208. https://www.osti.gov/servlets/purl/1393904.
@article{osti_1393904,
title = {Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N},
author = {Zhang, Yi and Nelson, R. and Siddiqui, Elisha and Tam, K. -M. and Yu, U. and Berlijn, T. and Ku, W. and Vidhyadhiraja, N. S. and Moreno, J. and Jarrell, M.},
abstractNote = {We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling, and Berk so that it can deal with localization in multiband disordered systems with both diagonal and off-diagonal disorder with complicated potentials. We also introduce an ansatz for the momentum-resolved typical density of states that greatly improves the numerical stability of the method while preserving the independence of scattering events at different frequencies. Starting from the first-principles effective Hamiltonian, we apply this method to the diluted magnetic semiconductor Ga 1 - x Mn x N , and find the impurity band is completely localized for Mn concentrations x < 0.03 , while for 0.03 < x < 0.10 the impurity band has delocalized states but the chemical potential resides at or above the mobility edge. So, the system is always insulating within the experimental compositional limit ( x ≈ 0.10 ) due to Anderson localization. But, for 0.03 < x < 0.10 hole doping could make the system metallic, allowing double-exchange mediated, or enhanced, ferromagnetism. Finally, this developed method is expected to have a large impact on first-principles studies of Anderson localization.},
doi = {10.1103/PhysRevB.94.224208},
url = {https://www.osti.gov/biblio/1393904}, journal = {Physical Review B},
issn = {2469-9950},
number = 22,
volume = 94,
place = {United States},
year = {Thu Dec 29 00:00:00 EST 2016},
month = {Thu Dec 29 00:00:00 EST 2016}
}

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Cited by: 15 works
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Works referenced in this record:

Visualizing Critical Correlations Near the Metal-Insulator Transition in Ga1-xMnxAs
journal, February 2010


Role of vacancies in metal–insulator transitions of crystalline phase-change materials
journal, October 2012


Phase diagram and critical behavior of the random ferromagnet Ga 1 x Mn x N
journal, August 2013


Indication of ferromagnetism in molecular-beam-epitaxy-derived N-type GaMnN
journal, August 2001


Hole-mediated ferromagnetism in tetrahedrally coordinated semiconductors
journal, April 2001


Absence of Diffusion in Certain Random Lattices
journal, March 1958


Hidden order revealed
journal, April 2011


Experimental probing of the interplay between ferromagnetism and localization in (Ga, Mn)As
journal, November 2009


Study of multiband disordered systems using the typical medium dynamical cluster approximation
journal, November 2015


Generalized Locator—Coherent-Potential Approach to Binary Alloys
journal, October 1971


Mn doping and p-type conductivity in zinc-blende GaMnN layers grown by molecular beam epitaxy
journal, January 2005

  • Novikov, S. V.; Edmonds, K. W.; Zhao, L. X.
  • Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 23, Issue 3
  • https://doi.org/10.1116/1.1868699

What is the Valence of Mn in Ga 1 x Mn x N ?
journal, November 2015


Insulator-to-Metal Transition in Sulfur-Doped Silicon
journal, April 2011


Study of off-diagonal disorder using the typical medium dynamical cluster approximation
journal, September 2014


Metalorganic vapor phase epitaxial growth of a high quality GaN film using an AlN buffer layer
journal, February 1986


Magnetic properties of n -GaMnN thin films
journal, May 2002


Demonstration of the spin solar cell and spin photodiode effect
journal, July 2013


Paramagnetic Ni Cu Alloys: Electronic Density of States in the Coherent-Potential Approximation
journal, April 1970


Scaling Theory of Localization: Absence of Quantum Diffusion in Two Dimensions
journal, March 1979


Statistics and scaling in disordered mesoscopic electron systems
journal, March 1998


Origin of low-temperature magnetic ordering in Ga 1 x Mn x N
journal, May 2012


Room temperature ferromagnetism in cubic GaN epilayers implanted with Mn+ ions
journal, October 2004


Anderson localization of electrons in single crystals: Li x Fe 7 Se 8
journal, February 2016


Controlling the Curie temperature in (Ga,Mn)As through location of the Fermi level within the impurity band
journal, February 2012


Spintronics: Fundamentals and applications
journal, April 2004


Magnetic and transport characteristics on high Curie temperature ferromagnet of Mn-doped GaN
journal, January 2002


Battle of the bands
journal, April 2012


Typical medium dynamical cluster approximation for the study of Anderson localization in three dimensions
journal, February 2014


Theory of ferromagnetic (III,Mn)V semiconductors
journal, August 2006


Multifractal Analysis of Broadly-Distributed Observables at Criticality
journal, April 1994


Proposal for a spin-polarized solar battery
journal, September 2001


Electric-field control of ferromagnetism
journal, December 2000


Single-Site Approximations in the Electronic Theory of Simple Binary Alloys
journal, November 1968


Magnetization vector manipulation by electric fields
journal, September 2008


Candela‐class high‐brightness InGaN/AlGaN double‐heterostructure blue‐light‐emitting diodes
journal, March 1994


First-principles theory of dilute magnetic semiconductors
journal, May 2010


Typical medium theory of Anderson localization: A local order parameter approach to strong-disorder effects
journal, April 2003


Ferromagnetic semiconductors: moving beyond (Ga,Mn)As
journal, March 2005


Magnetoelectronics
journal, November 1998


Exchange interactions in diluted magnetic semiconductors
journal, November 2004


Disorder-induced localization in crystalline phase-change materials
journal, January 2011


Room temperature ferromagnetic properties of (Ga, Mn)N
journal, November 2001


Growth of GaN and AlGaN for UV/blue p-n junction diodes
journal, March 1993


Coherent-Potential Model of Substitutional Disordered Alloys
journal, April 1967


Non-volatile ferroelectric control of ferromagnetism in (Ga,Mn)As
journal, May 2008


Spintronics
journal, January 2001


Proposal for a spin-polarized solar battery
text, January 2001


Demonstration of the spin solar cell and spin photodiode effect
text, January 2013


Spintronics: fundamentals and applications
text, January 2004


Nonvolatile ferroelectric control of ferromagnetism in (Ga,Mn)As
text, January 2008


A proposal for a spin-polarized solar battery
text, January 2001


Theory of ferromagnetic (III,Mn)V semiconductors
text, January 2006


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Locally self-consistent embedding approach for disordered electronic systems
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Ab initio typical medium theory of substitutional disorder
journal, January 2020


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