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RESEARCH PAPER · Physical Review B · 2009

Origin of p -type conduction in single-crystal CuAlO2

Janet Tate, H. L. Ju, Joonchul Moon, Andriy Zakutayev, A.P. Richard, J. Russell, D. H. McIntyre

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Origin of p -type conduction in single-crystal CuAlO2OriginalChemical bath deposition and electrodeposition of epitaxial semiconductor materials for application in photovoltaic devices1Origin of high‐density hole doping and anisotropic hole transport in a wide gap layered semiconductor LaCuOSe studied by first‐principles calculations9Band structures of delafossite transparent conductive oxides from a self-consistent GW approach72Density functional theory study of 3R– and 2H–CuAlO2 under pressure18Origins of Hole Doping and Relevant Optoelectronic Properties of Wide Gap p-Type Semiconductor, LaCuOSe53Conductivity Limits in CuAlO2 from Screened-Hybrid Density Functional Theory131Effects of Mg substitution on the structural, optical, and electrical properties of CuAlO2 thin films36Comparative study of the structural, optical, and electrical properties of CuAlO2 thin films on Al2O3 and YSZ substrates via chemical solution deposition12Sb-doped CuAlO2: widening of band gap and nonlinear J–E characteristics10First-principles calculations of intrinsic defects in the p-type semiconductor CuAlO231Effect of Cr doping on the optical–electrical property of CuAlO2 thin films derived by chemical solution deposition18Band gap anomalies of the ZnM2IIIO4 (MIII = Co, Rh, Ir) spinels67Understanding the p-type defect chemistry of CuCrO2212Transport, electronic, and structural properties of nanocrystalline CuAlO 2 delafossites41Density functional theory study of 3R– and 2H–CuAlO2 in tensile stress13Optical properties of p-type CuAlO2 thin film grown by rf magnetron sputtering59The effects of Bi alloying in Cu delafossites: A density functional theory study20Band structure calculations of CuAlO 2 , CuGaO 2 , CuInO 2 , and CuCrO 2 by screened exchange103Band or Polaron: The Hole Conduction Mechanism in the p ‐Type Spinel Rh 2 ZnO 457Synthesis of delafossite CuAlO2 p-type semiconductor with a nanoparticle-based Cu(I) acetate-loaded boehmite precursor25Evidence of room temperature ferromagnetism in Co-doped transparent CuAlO2 semiconductor26Effect of Cr doping on the ac electrical properties of MgAl2O4 nanoparticles16On the possibility of p-type SnO2180Energy band engineering and controlled p-type conductivity of CuAlO2 thin films by nonisovalent Cu-O alloying53Local structures and roles of Fe3+ and Cr3+ in p‐type semiconductor CuAlO28Semiconducting transition-metal oxides based on d5 cations: Theory for MnO and Fe 2 O 384A study of the semiconductor compound СuAlO2 by the method of nuclear quadrupole resonance of Cu5First-principles study of nitrogen-doped CuAlO217Synthesis and characterization of multi-element oxynitride semiconductor film prepared by reactive sputtering deposition16Electronic properties of bivalent cations (Be, Mg and Ca) substitution for Al in delafossite CuAlO2 semiconductor by first-principles calculations24Density Functional Theory Study of P-Type Transparent Conducting 2H-CuAlO2 Oxide5Cupric Oxide Thin Films for Photovoltaic Applications0Dellafossite CuAlO2 film growth and conversion to Cu–Al2O3 metal ceramic composite via control of annealing atmospheres12Strong optical absorption in CuTaN2 nitride delafossite55Growth and properties of transparent conducting CuAlO2 single crystals by a flux self-removal method10Energy Generation: Solar Energy3Study of band-structure, optical properties and native defects inAIBIIIO2(AI= Cu or Ag,BIII= Al, Ga or In) delafossites61Development and application of an instrument for spatially resolved Seebeck coefficient measurements37Li‐Doped Cr2MnO4: A New p‐Type Transparent Conducting Oxide by Computational Materials Design71Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory156The crystal structure of p-type transparent conductive oxide CuBO214Tuning the formation of p-type defects by peroxidation of CuAlO2 films21First-principle study on O–A–O dumbbell of delafossite crystal12First-Principles Study on the Elastic and Electronic Properties of 2H-CuGaO23Structural, electrical and optical properties of Mg-doped CuAlO 2 films by pulsed laser deposition26The luminescent properties of CuAlO 223Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe67Scalable synthesis of delafossite CuAlO2 nanoparticles for p-type dye-sensitized solar cells applications81Deposition of cupric oxide thin films by spin coating8Defect Tolerant Semiconductors for Solar Energy Conversion388Fabrication and electrical properties of p-CuAlO2/(n-, p-)Si heterojunctions7Theoretical insights into structural–electronic relationships and relative stability of the Cu-, Al- and O-terminated CuAlO2(0001) surfaces16Features of the spin-lattice relaxation of nuclear spins 63,65Cu in the CuAlO2 semiconductor compound2First-principles study of electronic structures and thermoelectric properties of 2H–CuAlO219Effects of chalcogen substitution on electronic properties and chemical bondings of delafossite CuAlO213Experimental Characterization of a Theoretically Designed Candidate p-Type Transparent Conducting Oxide: Li-Doped Cr2MnO421Effects of the Cu off-stoichiometry on transport properties of wide gap p-type semiconductor, layered oxysulfide LaCuSO27Electronic structure and defect properties of B6O from hybrid functional and many-body perturbation theory calculations: A possible ambipolar transparent conductor35Thermoelectric and optical properties of CuAlO2 synthesized by direct microwave heating46The possibility of optical excitations at the smallest gap of Cu-delafossite nanocrystals0Electronic structure calculations of delafossite Cu-based transparent conducting oxides CuMO2 (M=B,Al,Ga,In) by quasiparticle self-consistentGWapproximation and Tran-Blaha's modified Becke-Johnson exchange potential15Sputtered metal oxide broken gap junctions for tandem solar cells17Strong temperature-dependent crystallization, phase transition, optical and electrical characteristics of p-type CuAlO 2 thin films19Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO 2 and CuBO 2 families (B = Al, Ga, In and Sc, Y)38Nanoporous Delafossite CuAlO2from Inorganic/Polymer Double Gels: A Desirable High-Surface-Area p-Type Transparent Electrode Material22Effects of different concentration S-doping on the structural stability and electronic structures of delafossite CuAlO214Conducting mechanism in the epitaxial p -type transparent conducting oxide Cr2O3:Mg78The Structural, Anisotropic Magnetization, and Spectroscopic Study of Delafossite CuCr1−x M x O2 Systems3Sol–gel synthesis and characterization of the delafossite CuAlO237Features of Electron Density Distribution in Delafossite Cualo23A novel organic pollutants gas sensing material p-type CuAlO 2 microsphere constituted of nanoparticles for environmental remediation47The role of annealing conditions on the low temperature photoluminescence properties of CuAlO211Polymorph engineering of CuMO2 (M = Al, Ga, Sc, Y) semiconductors for solar energy applications: from delafossite to wurtzite14Electronic, Optical and Thermoelectric Properties of 2H-CuAlO2: A First Principles Study21Thermodynamic and optical properties of CuAlO2 under pressure from first principle7Influences of S, Se, Te and Po substitutions on structural, electronic and optical properties of hexagonal CuAlO 2 using GGA and B3LYP functionals15Recent Developments in p‐Type Oxide Semiconductor Materials and Devices779Photoluminescence and photocatalytic properties of rhombohedral CuGaO2 nanoplates60Assessing the potential of Mg-doped Cr 2 O 3 as a novel p -type transparent conducting oxide40Influence of the “second gap” on the transparency of transparent conducting oxides: An ab initio study23Electrical and optical properties of Cu–Cr–O thin films fabricated by chemical vapour deposition32Metal Oxide Transistors via Polyethylenimine Doping of the Channel Layer: Interplay of Doping, Microstructure, and Charge Transport86P -type transparent conducting oxides412Copper zinc oxide: Investigation into a p-type mixed metal oxide system31Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors97Synthesis and magnetic properties of CuAlO2 from high-energy ball-milled Cu2O Al2O3 mixture22Stability and electronic properties of CuAlO2 ( 11 2 − 0 ) surfaces13Influence of nitrogen-doping concentration on the electronic structure of CuAlO2 by first-principles studies8Multinary wurtzite-type oxide semiconductors: present status and perspectives13A study of structural, electrical, and optical properties of p-type Zn-doped SnO 2 films versus deposition and annealing temperature28Vacancy defects in delafossite СuАlO2: First-principles calculations1Enhancing the electrical conductivity and thermoelectric figure of merit of the p-type delafossite CuAlO2 by Ag2O addition29Electronic band structures and excitonic properties of delafossites: A GW-BSE study32Effect of calcination temperature on structure and thermoelectric properties of CuAlO2 powders31Síntesis por el método Pechini y caracterización estructural, óptica y termoeléctrica de CuAlO21Transition from mobility-activated small polaron to carrier density-activated conduction of sol-gel-derived highly-oriented CuAlO2 thin film and enhanced thermoelectric properties12Metal Composition and Polyethylenimine Doping Capacity Effects on Semiconducting Metal Oxide–Polymer Blend Charge Transport52First principles study on band structure and optical properties of N-doped CuAlO26A First Principles Study on the Electronic, Optical and Hole Effective Mass Properties of Mg-Doped CuAlO2 and AgAlO25First-principles investigations on extrinsic acceptor defects in alkaline-earth metal and N doped CuAlO22Realizing Shallow Acceptor Levels in Delafossite CuAlO2 () Surfaces by Chalcogen Doping2Solution-processed inorganic p-channel transistors: Recent advances and perspectives10663,65Cu NQR Spectra and Spin–Lattice Relaxation in Thermoelectric CuAlO23Structural stability and electronic properties of XTO2 (X= Cu, Ag; T=Al, Cr): An ab initio study including X vacancies and Mg doping19Evidence and Influence of Copper Vacancies in p-Type CuGaO2 Mesoporous Films41Surface oxygen vacancy defect engineering of p-CuAlO 2 via Ar&H 2 plasma treatment for enhancing VOCs sensing performances38Electrical conductivity, thermoelectrical properties, and EPR spectroscopy of copper chromite ceramic samples doped with magnesium6Transparent p-Type Semiconductors: Copper-Based Oxides and Oxychalcogenides92Inverted Perovskite Photovoltaics Using Flame Spray Pyrolysis Solution Based CuAlO2/Cu–O Hole-Selective Contact39Computationally driven high-throughput identification of CaTe and Li3Sb as promising candidates for high-mobility p -type transparent conducting materials30Polymer-Doped Ink System for Threshold Voltage Modulation in Printed Metal Oxide Thin Film Transistors10Solution‐Processed Ternary Oxides as Carrier Transport/Injection Layers in Optoelectronics52Effects of vacancies and p-doping on the optoelectronic properties of Cu- and Ag-based transparent conducting oxides9Exploring High-Performance p -Type Transparent Conducting Oxides Based on Electron Correlation in V2O3 Thin Films27Fundamental properties of delafossite CuFeO2 as photocatalyst for solar energy conversion116Structural and thermoelectric properties of the Pr2Zr2O7 compound0Structure–Charge Transport Relationships in Fluoride-Doped Amorphous Semiconducting Indium Oxide: Combined Experimental and Theoretical Analysis22Delafossite CuGaO 2 as promising visible-light-driven photocatalyst: synthesize, properties, and performances42Analysis of Electron Density Distribution in the CuAlO2 System1Wide Band Gap Chalcogenide Semiconductors513Wide Band Gap Chalcogenide Semiconductors.420On the Dopability of Semiconductors and Governing Material Properties50Boron phosphide as a p -type transparent conductor: Optical absorption and transport through electron-phonon coupling19Design strategy for p-type transparent conducting oxides68Development of CuAlO2-Encapsulated Reduced Graphene Oxide Nanocomposites: An Efficient and Selective Electrocatalyst for Detection of Neurodegenerative Disorders13Review in optoelectronic properties of p-type CuCrO2 transparent conductive films54Experimental and Computational Studies of the Optical Properties of CuAl1-xFexO20Delafossite type CuCo0.5Ti0.5O2 composite structure: A futuristic ceramics for supercapacitor and EMI shielding application39First-principles study on electronic and optical properties of Mg-N dual-acceptor codoped CuAlO22Identification of a Fe-Dependent Optical Mode in CuAl1–xFexO25Binary copper oxides as photovoltaic absorbers: recent progress in materials and applications26Effects of solution concentration on the structural and optical properties of CuAlO2 thin films prepared on 4H-SiC via sol-gel method2Efficient calculation of carrier scattering rates from first principles688Fabrication and characterization of CuAlO2/ 4H–SiC heterostructure on 4H–SiC (0001)9Study on optical properties of the F type color center in the p-CuAlO2 crystal with first principles3A member of p-type TCO family: Sn2TaxNb2-xO7 with a tunable band gap and controllable hole mobility8Beryllium sulfur doped with N, Li and Na: Promising p-type transparent semiconductor8Improving the photo-thermoelectric performance of CuAlO2 via doping with Bi14Analysis of electronic structure and properties of Ga2O3/CuAlO2 heterojunction35An all-sputtered photovoltaic ultraviolet photodetector based on co-doped CuCrO2 and Al-doped ZnO heterojunction50Point defects in p -type transparent conductive CuMO2 ( M=Al , Ga, In) from first principles22Low-Frequency Dynamics of Charge Carriers in CuAlO2 Semiconductor According to NMR Data2Stability of Cun (n = 1–4) clusters adsorption on CuAlO2 (11 2¯ 0) surfaces using atomic thermodynamics6p‐Type Near‐Infrared Transparent Delafossite Thin Films with Ultrahigh Conductivity13A review on the p-type transparent Cu–Cr–O delafossite materials67New record high thermoelectric ZT of delafossite-based CuCrO2 thin films obtained by simultaneously reducing electrical resistivity and thermal conductivity via heavy doping with controlled residual stress15Tailoring orientation of microstructure for improving thermopower factor in Mg-doped CuCrO2 thick films10Solution-Processed Copper Iodide Film as a p-Type Electrical Conductor and Their Applications8Delafossite CuCrO2 nanoparticles as possible electrode material for electrochemical supercapacitor39First-principles calculations to investigate the polymorph effects of CuAlO212

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  2. Origin of high‐density hole doping and anisotropic hole transport in a wide gap layered semiconductor LaCuOSe studied by first‐principles calculations

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  4. Density functional theory study of 3R– and 2H–CuAlO2 under pressure

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  5. Origins of Hole Doping and Relevant Optoelectronic Properties of Wide Gap p-Type Semiconductor, LaCuOSe

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  6. Conductivity Limits in CuAlO2 from Screened-Hybrid Density Functional Theory

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  7. Effects of Mg substitution on the structural, optical, and electrical properties of CuAlO2 thin films

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  10. First-principles calculations of intrinsic defects in the p-type semiconductor CuAlO2

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  11. Effect of Cr doping on the optical–electrical property of CuAlO2 thin films derived by chemical solution deposition

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  12. Band gap anomalies of the ZnM2IIIO4 (MIII = Co, Rh, Ir) spinels

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  13. Understanding the p-type defect chemistry of CuCrO2

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  14. Transport, electronic, and structural properties of nanocrystalline CuAlO 2 delafossites

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  15. Density functional theory study of 3R– and 2H–CuAlO2 in tensile stress

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  16. Optical properties of p-type CuAlO2 thin film grown by rf magnetron sputtering

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  17. The effects of Bi alloying in Cu delafossites: A density functional theory study

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  18. Band structure calculations of CuAlO 2 , CuGaO 2 , CuInO 2 , and CuCrO 2 by screened exchange

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  19. Band or Polaron: The Hole Conduction Mechanism in the p ‐Type Spinel Rh 2 ZnO 4

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  20. Synthesis of delafossite CuAlO2 p-type semiconductor with a nanoparticle-based Cu(I) acetate-loaded boehmite precursor

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  21. Evidence of room temperature ferromagnetism in Co-doped transparent CuAlO2 semiconductor

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  24. Energy band engineering and controlled p-type conductivity of CuAlO2 thin films by nonisovalent Cu-O alloying

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  37. Study of band-structure, optical properties and native defects inAIBIIIO2(AI= Cu or Ag,BIII= Al, Ga or In) delafossites

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  39. Li‐Doped Cr2MnO4: A New p‐Type Transparent Conducting Oxide by Computational Materials Design

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  40. Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory

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  41. The crystal structure of p-type transparent conductive oxide CuBO2

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  42. Tuning the formation of p-type defects by peroxidation of CuAlO2 films

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  43. First-principle study on O–A–O dumbbell of delafossite crystal

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  44. First-Principles Study on the Elastic and Electronic Properties of 2H-CuGaO2

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  45. Structural, electrical and optical properties of Mg-doped CuAlO 2 films by pulsed laser deposition

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  46. The luminescent properties of CuAlO 2

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  47. Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe

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  48. Scalable synthesis of delafossite CuAlO2 nanoparticles for p-type dye-sensitized solar cells applications

    Journal of Alloys and Compounds · 2014-01-03

    Jahangeer Ahmed, Colin K. Blakely, Jai Prakash, Shaun R. Bruno, Mingzhe Yu, Yiying Wu, Viktor V. Poltavets

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  49. Deposition of cupric oxide thin films by spin coating

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  50. Defect Tolerant Semiconductors for Solar Energy Conversion

    The Journal of Physical Chemistry Letters · 2014-03-13

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