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

Zhang, Yi; Nelson, R.; Siddiqui, Elisha; Tam, K. -M.; Yu, U.; Berlijn, T.; Ku, W.; Vidhyadhiraja, N. S.; Moreno, J.; Jarrell, M.

doi:10.1103/PhysRevB.94.224208

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

Journal Article · Thu Dec 29 00:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.224208· OSTI ID:1393904

Zhang, Yi ^[1]; Nelson, R. ^[2]; Siddiqui, Elisha ^[3]; Tam, K. -M. ^[1]; Yu, U. ^[4]; Berlijn, T. ^[5]; Ku, W. ^[6]; Vidhyadhiraja, N. S. ^[7]; Moreno, J. ^[1]; Jarrell, M. ^[1]

Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Physics and Astronomy, Center for Computation and Technology
RWTH Aachen Univ. (Germany). Inst. of Inorganic Chemistry
Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Physics and Astronomy
Gwangju Inst. of Science and Technology (GIST), Gwangju (Korea). Dept. of Physics and Photon Science
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences, Computer Science and Mathematics Division
Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore (India). Theoretical Sciences Unit

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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725; AC02-98CH10886

OSTI ID:: 1393904

Alternate ID(s):: OSTI ID: 1338088

Journal Information:: Physical Review B, Vol. 94, Issue 22; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 15 works

Citation information provided by
Web of Science

References (62)

Visualizing Critical Correlations Near the Metal-Insulator Transition in Ga1-xMnxAs Richardella, A.; Roushan, P.; Mack, S. Science, Vol. 327, Issue 5966 https://doi.org/10.1126/science.1183640	journal	February 2010
Role of vacancies in metal–insulator transitions of crystalline phase-change materials Zhang, W.; Thiess, A.; Zalden, P. Nature Materials, Vol. 11, Issue 11 https://doi.org/10.1038/nmat3456	journal	October 2012
Phase diagram and critical behavior of the random ferromagnet Ga $_{1 - x}$ Mn $_{x}$ N Stefanowicz, S.; Kunert, G.; Simserides, C. Physical Review B, Vol. 88, Issue 8 https://doi.org/10.1103/PhysRevB.88.081201	journal	August 2013
Can Disorder Alone Destroy the $e_{g}^{'}$ Hole Pockets of ${Na}_{x} {CoO}_{2}$ ? A Wannier Function Based First-Principles Method for Disordered Systems Berlijn, Tom; Volja, Dmitri; Ku, Wei Physical Review Letters, Vol. 106, Issue 7 https://doi.org/10.1103/PhysRevLett.106.077005	journal	February 2011
Indication of ferromagnetism in molecular-beam-epitaxy-derived N-type GaMnN Overberg, Mark E.; Abernathy, Cammy R.; Pearton, Stephen J. Applied Physics Letters, Vol. 79, Issue 9 https://doi.org/10.1063/1.1397763	journal	August 2001
Hole-mediated ferromagnetism in tetrahedrally coordinated semiconductors Dietl, T.; Ohno, H.; Matsukura, F. Physical Review B, Vol. 63, Issue 19 https://doi.org/10.1103/PhysRevB.63.195205	journal	April 2001
Absence of Diffusion in Certain Random Lattices Anderson, P. W. Physical Review, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRev.109.1492	journal	March 1958
Hidden order revealed Flatté, Michael E. Nature Physics, Vol. 7, Issue 4 https://doi.org/10.1038/nphys1971	journal	April 2011
Experimental probing of the interplay between ferromagnetism and localization in (Ga, Mn)As Sawicki, Maciej; Chiba, Daichi; Korbecka, Anna Nature Physics, Vol. 6, Issue 1 https://doi.org/10.1038/nphys1455	journal	November 2009
Study of multiband disordered systems using the typical medium dynamical cluster approximation Zhang, Yi; Terletska, Hanna; Moore, C. Physical Review B, Vol. 92, Issue 20 https://doi.org/10.1103/PhysRevB.92.205111	journal	November 2015
Generalized Locator—Coherent-Potential Approach to Binary Alloys Blackman, J. A.; Esterling, D. M.; Berk, N. F. Physical Review B, Vol. 4, Issue 8 https://doi.org/10.1103/PhysRevB.4.2412	journal	October 1971
Mn doping and p-type conductivity in zinc-blende GaMnN layers grown by molecular beam epitaxy 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	journal	January 2005
What is the Valence of Mn in ${Ga}_{1 - x} {Mn}_{x} N$ ? Nelson, Ryky; Berlijn, Tom; Moreno, Juana Physical Review Letters, Vol. 115, Issue 19 https://doi.org/10.1103/PhysRevLett.115.197203	journal	November 2015
Insulator-to-Metal Transition in Sulfur-Doped Silicon Winkler, Mark T.; Recht, Daniel; Sher, Meng-Ju Physical Review Letters, Vol. 106, Issue 17 https://doi.org/10.1103/PhysRevLett.106.178701	journal	April 2011
Study of off-diagonal disorder using the typical medium dynamical cluster approximation Terletska, H.; Ekuma, C. E.; Moore, C. Physical Review B, Vol. 90, Issue 9 https://doi.org/10.1103/PhysRevB.90.094208	journal	September 2014
Zener Model Description of Ferromagnetism in Zinc-Blende Magnetic Semiconductors Dietl, T. Science, Vol. 287, Issue 5455 https://doi.org/10.1126/science.287.5455.1019	journal	February 2000
Metalorganic vapor phase epitaxial growth of a high quality GaN film using an AlN buffer layer Amano, H.; Sawaki, N.; Akasaki, I. Applied Physics Letters, Vol. 48, Issue 5, p. 353-355 https://doi.org/10.1063/1.96549	journal	February 1986
Magnetic properties of n -GaMnN thin films Thaler, G. T.; Overberg, M. E.; Gila, B. Applied Physics Letters, Vol. 80, Issue 21 https://doi.org/10.1063/1.1481533	journal	May 2002
Demonstration of the spin solar cell and spin photodiode effect Endres, B.; Ciorga, M.; Schmid, M. Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3068	journal	July 2013
Paramagnetic $Ni Cu$ Alloys: Electronic Density of States in the Coherent-Potential Approximation Kirkpatrick, S.; Velický, B.; Ehrenreich, H. Physical Review B, Vol. 1, Issue 8 https://doi.org/10.1103/PhysRevB.1.3250	journal	April 1970
Scaling Theory of Localization: Absence of Quantum Diffusion in Two Dimensions Abrahams, E.; Anderson, P. W.; Licciardello, D. C. Physical Review Letters, Vol. 42, Issue 10 https://doi.org/10.1103/PhysRevLett.42.673	journal	March 1979
Statistics and scaling in disordered mesoscopic electron systems Janssen, Martin Physics Reports, Vol. 295, Issue 1-2 https://doi.org/10.1016/S0370-1573(97)00050-1	journal	March 1998
Origin of low-temperature magnetic ordering in Ga $_{1 - x}$ Mn $_{x}$ N Sawicki, M.; Devillers, T.; Gałęski, S. Physical Review B, Vol. 85, Issue 20 https://doi.org/10.1103/PhysRevB.85.205204	journal	May 2012
Room temperature ferromagnetism in cubic GaN epilayers implanted with Mn+ ions Chitta, V. A.; Coaquira, J. A. H.; Fernandez, J. R. L. Applied Physics Letters, Vol. 85, Issue 17 https://doi.org/10.1063/1.1812590	journal	October 2004
Anderson localization of electrons in single crystals: Li _x Fe ₇ Se ₈ Ying, Tianping; Gu, Yueqiang; Chen, Xiao Science Advances, Vol. 2, Issue 2 https://doi.org/10.1126/sciadv.1501283	journal	February 2016
Controlling the Curie temperature in (Ga,Mn)As through location of the Fermi level within the impurity band Dobrowolska, M.; Tivakornsasithorn, K.; Liu, X. Nature Materials, Vol. 11, Issue 5 https://doi.org/10.1038/nmat3250	journal	February 2012
Spintronics: Fundamentals and applications Žutić, Igor; Fabian, Jaroslav; Das Sarma, S. Reviews of Modern Physics, Vol. 76, Issue 2 https://doi.org/10.1103/RevModPhys.76.323	journal	April 2004
Magnetic and transport characteristics on high Curie temperature ferromagnet of Mn-doped GaN Sasaki, Takahiko; Sonoda, Saki; Yamamoto, Yoshiyuki Journal of Applied Physics, Vol. 91, Issue 10 https://doi.org/10.1063/1.1451879	journal	January 2002
Battle of the bands Samarth, Nitin Nature Materials, Vol. 11, Issue 5 https://doi.org/10.1038/nmat3317	journal	April 2012
Typical medium dynamical cluster approximation for the study of Anderson localization in three dimensions Ekuma, C. E.; Terletska, H.; Tam, K. -M. Physical Review B, Vol. 89, Issue 8 https://doi.org/10.1103/PhysRevB.89.081107	journal	February 2014
Distribution of local densities of states, order parameter function, and critical behavior near the Anderson transition Mirlin, Alexander D.; Fyodorov, Yan V. Physical Review Letters, Vol. 72, Issue 4 https://doi.org/10.1103/PhysRevLett.72.526	journal	January 1994
Theory of ferromagnetic (III,Mn)V semiconductors Jungwirth, T.; Sinova, Jairo; Mašek, J. Reviews of Modern Physics, Vol. 78, Issue 3 https://doi.org/10.1103/RevModPhys.78.809	journal	August 2006
Multifractal Analysis of Broadly-Distributed Observables at Criticality Janssen, Martin International Journal of Modern Physics B, Vol. 08, Issue 08 https://doi.org/10.1142/S021797929400049X	journal	April 1994
Proposal for a spin-polarized solar battery Žutić, Igor; Fabian, Jaroslav; Das Sarma, S. Applied Physics Letters, Vol. 79, Issue 10 https://doi.org/10.1063/1.1399002	journal	September 2001
Electric-field control of ferromagnetism Ohno, H.; Chiba, D.; Matsukura, F. Nature, Vol. 408, Issue 6815 https://doi.org/10.1038/35050040	journal	December 2000
Single-Site Approximations in the Electronic Theory of Simple Binary Alloys Velický, B.; Kirkpatrick, S.; Ehrenreich, H. Physical Review, Vol. 175, Issue 3 https://doi.org/10.1103/PhysRev.175.747	journal	November 1968
Magnetization vector manipulation by electric fields Chiba, D.; Sawicki, M.; Nishitani, Y. Nature, Vol. 455, Issue 7212 https://doi.org/10.1038/nature07318	journal	September 2008
Candela‐class high‐brightness InGaN/AlGaN double‐heterostructure blue‐light‐emitting diodes Nakamura, Shuji; Mukai, Takashi; Senoh, Masayuki Applied Physics Letters, Vol. 64, Issue 13, p. 1687-1689 https://doi.org/10.1063/1.111832	journal	March 1994
First-principles theory of dilute magnetic semiconductors Sato, K.; Bergqvist, L.; Kudrnovský, J. Reviews of Modern Physics, Vol. 82, Issue 2 https://doi.org/10.1103/RevModPhys.82.1633	journal	May 2010
Typical medium theory of Anderson localization: A local order parameter approach to strong-disorder effects Dobrosavljević, V.; Pastor, A. A.; Nikolić, B. K. Europhysics Letters (EPL), Vol. 62, Issue 1 https://doi.org/10.1209/epl/i2003-00364-5	journal	April 2003
Ferromagnetic semiconductors: moving beyond (Ga,Mn)As MacDonald, A. H.; Schiffer, P.; Samarth, N. Nature Materials, Vol. 4, Issue 3 https://doi.org/10.1038/nmat1325	journal	March 2005
Magnetoelectronics Prinz, G. A. Science, Vol. 282, Issue 5394 https://doi.org/10.1126/science.282.5394.1660	journal	November 1998
Exchange interactions in diluted magnetic semiconductors Sato, K.; Dederichs, P. H.; Katayama-Yoshida, H. Journal of Physics: Condensed Matter, Vol. 16, Issue 48 https://doi.org/10.1088/0953-8984/16/48/003	journal	November 2004
Disorder-induced localization in crystalline phase-change materials Siegrist, T.; Jost, P.; Volker, H. Nature Materials, Vol. 10, Issue 3 https://doi.org/10.1038/nmat2934	journal	January 2011
Room temperature ferromagnetic properties of (Ga, Mn)N Reed, M. L.; El-Masry, N. A.; Stadelmaier, H. H. Applied Physics Letters, Vol. 79, Issue 21 https://doi.org/10.1063/1.1419231	journal	November 2001
Growth of GaN and AlGaN for UV/blue p-n junction diodes Akasaki, I.; Amano, H.; Murakami, H. Journal of Crystal Growth, Vol. 128, Issue 1-4 https://doi.org/10.1016/0022-0248(93)90352-W	journal	March 1993
Coherent-Potential Model of Substitutional Disordered Alloys Soven, Paul Physical Review, Vol. 156, Issue 3 https://doi.org/10.1103/PhysRev.156.809	journal	April 1967
Non-volatile ferroelectric control of ferromagnetism in (Ga,Mn)As Stolichnov, I.; Riester, S. W. E.; Trodahl, H. J. Nature Materials, Vol. 7, Issue 6 https://doi.org/10.1038/nmat2185	journal	May 2008
Spintronics Sarma, Sankar Das American Scientist, Vol. 89, Issue 6 https://doi.org/10.1511/2001.6.516	journal	January 2001
Proposal for a spin-polarized solar battery Zutic, Igor; Fabian, Jaroslav; Sarma, S. Das Universität Regensburg https://doi.org/10.5283/epub.1830	text	January 2001
Demonstration of the spin solar cell and spin photodiode effect Endres, Bernhard; Ciorga, Mariusz; Schmid, Maximilian Universität Regensburg https://doi.org/10.5283/epub.28498	text	January 2013
Spintronics: fundamentals and applications Zutic, Igor; Fabian, Jaroslav; Sarma, S. Das Universität Regensburg https://doi.org/10.5283/epub.1823	text	January 2004
Nonvolatile ferroelectric control of ferromagnetism in (Ga,Mn)As Stolichnov, I.; Riester, S. W. E.; Trodahl, H. J. arXiv https://doi.org/10.48550/arxiv.0802.2074	text	January 2008
Experimental probing of the interplay between ferromagnetism and localisation in (Ga,Mn)As Sawicki, Maciej; Chiba, Daichi; Korbecka, Anna arXiv https://doi.org/10.48550/arxiv.0909.3694	text	January 2009
Visualizing Critical Correlations near the Metal-Insulator Transition in Ga1-xMnxAs Richardella, Anthony; Roushan, Pedram; Mack, Shawn arXiv https://doi.org/10.48550/arxiv.1002.1037	text	January 2010
Controlling Curie temperature in (Ga,Ms)As through location of the Fermi level within the impurity band Dobrowolska, M.; Tivakornsasithorn, K.; Liu, X. arXiv https://doi.org/10.48550/arxiv.1203.1852	text	January 2012
Study of off-diagonal disorder using the typical medium dynamical cluster approximation Terletska, H.; Ekuma, C. E.; Moore, C. arXiv https://doi.org/10.48550/arxiv.1406.1235	text	January 2014
Study of multiband disordered systems using the typical medium dynamical cluster approximation Zhang, Yi; Terletska, Hanna; Moore, C. arXiv https://doi.org/10.48550/arxiv.1509.04991	text	January 2015
Hole-mediated ferromagnetism in tetrahedrally coordinated semiconductors Dietl, T.; Ohno, H.; Matsukura, F. arXiv https://doi.org/10.48550/arxiv.cond-mat/0007190	text	January 2000
A proposal for a spin-polarized solar battery Zutic, Igor; Fabian, Jaroslav; Sarma, S. Das arXiv https://doi.org/10.48550/arxiv.cond-mat/0104416	text	January 2001
Typical medium theory of Anderson localization: A local order parameter approach to strong disorder effects Dobrosavljevic, V.; Pastor, A. A.; Nikolic, Branislav K. arXiv https://doi.org/10.48550/arxiv.cond-mat/0106282	text	January 2001
Theory of ferromagnetic (III,Mn)V semiconductors Jungwirth, T.; Sinova, Jairo; Masek, J. arXiv https://doi.org/10.48550/arxiv.cond-mat/0603380	text	January 2006

Cited By (5)

The potential and challenges of time-resolved single-photon detection based on current-carrying superconducting nanowires Zhang, Hengbin; Xiao, Lin; Luo, Bingcheng Journal of Physics D: Applied Physics, Vol. 53, Issue 1 https://doi.org/10.1088/1361-6463/ab4146	journal	October 2019
Locally self-consistent embedding approach for disordered electronic systems Zhang, Yi; Terletska, Hanna; Tam, Ka-Ming Physical Review B, Vol. 100, Issue 5 https://doi.org/10.1103/physrevb.100.054205	journal	August 2019
Ab initio typical medium theory of substitutional disorder Östlin, A.; Zhang, Y.; Terletska, H. Physical Review B, Vol. 101, Issue 1 https://doi.org/10.1103/physrevb.101.014210	journal	January 2020
Systematic Quantum Cluster Typical Medium Method for the Study of Localization in Strongly Disordered Electronic Systems Terletska, Hanna; Zhang, Yi; Tam, Ka-Ming Applied Sciences, Vol. 8, Issue 12 https://doi.org/10.3390/app8122401	journal	November 2018
Systematic Quantum Cluster Typical Medium Method For the Study of Localization in Strongly Disordered Electronic Systems Terletska, Hanna; Zhang, Yi; Tam, Ka Ming arXiv https://doi.org/10.48550/arxiv.1810.04728	text	January 2018

Similar Records

Self-consistent cluster theories for alloys with diagonal and off-diagonal disorder

Journal Article · Sun Oct 15 00:00:00 EDT 1978 · Phys. Rev., B: Solid State; (United States) · OSTI ID:1393904

Gonis, A; Garland, J W

Tight-binding coherent-potential approximation including off-diagonal disorder

Journal Article · Fri Dec 15 00:00:00 EST 1989 · Physical Review, B: Condensed Matter; (USA) · OSTI ID:1393904

Papaconstantopoulos, D A; Gonis, A; Laufer, P M

Study of multiband disordered systems using the typical medium dynamical cluster approximation

Journal Article · Fri Nov 06 00:00:00 EST 2015 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1393904

Zhang, Yi; Terletska, Hanna; Moore, C.; +6 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY

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

Citation Formats

References (62)

Cited By (5)

Similar Records

Related Subjects