Hybrid functional investigations of band gaps and band alignments for AlN, GaN, InN, and InGaN.
暂无分享,去创建一个
Qimin Yan | Poul Georg Moses | Maosheng Miao | P. G. Moses | M. Miao | Q. Yan | C. G. Van de Walle | Chris G Van de Walle
[1] T. Suski,et al. Limitations to band gap tuning in nitride semiconductor alloys , 2010 .
[2] Band gap bowing and electron localization of GaxIn1- xN , 2006 .
[3] Petter Holmström,et al. High structural quality InN∕In0.75Ga0.25N multiple quantum wells grown by molecular beam epitaxy , 2006 .
[4] Kazuhiro Ohkawa,et al. Hydrogen Gas Generation by Splitting Aqueous Water Using n-Type GaN Photoelectrode with Anodic Oxidation , 2005 .
[5] S. Gwo,et al. Cross-sectional scanning photoelectron microscopy and spectroscopy of wurtzite InN/GaN heterojunction : Measurement of intrinsic band lineup , 2008 .
[6] J. Lin,et al. Direct hydrogen gas generation by using InGaN epilayers as working electrodes , 2008 .
[7] S. Misawa,et al. Optical properties of AlN epitaxial thin films in the vacuum ultraviolet region , 1979 .
[8] G. Scuseria,et al. Hybrid functionals based on a screened Coulomb potential , 2003 .
[9] B. Segall,et al. THEORETICAL STUDY OF THE BAND OFFSETS AT GAN/ALN INTERFACES , 1994 .
[10] Karsten W. Jacobsen,et al. An object-oriented scripting interface to a legacy electronic structure code , 2002, Comput. Sci. Eng..
[11] Axel van de Walle,et al. Thermodynamic properties of binary hcp solution phases from special quasirandom structures , 2006, 0708.3995.
[12] J. Timler,et al. Conduction band offset at the InN∕GaN heterojunction , 2007 .
[13] Matthias Scheffler,et al. Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors , 2005, cond-mat/0502404.
[14] S. Kurtz,et al. Using MOVPE growth to generate tomorrow's solar electricity , 2007 .
[15] W. Aulbur,et al. Quasiparticle calculations of band offsets at AlN–GaN interfaces , 2002 .
[16] R. Car,et al. Hybrid density functional calculations of the band gap of Ga x In 1-x N , 2009, 0907.2001.
[17] A. Yoshikawa,et al. Bowing of the band gap pressure coefficient in InxGa1−xN alloys , 2008 .
[18] Egill Skúlason,et al. Modeling the electrified solid-liquid interface , 2008 .
[19] F. Bechstedt,et al. First-principles calculations of gap bowing in In x Ga 1 − x N and In x Al 1 − x N alloys: Relation to structural and thermodynamic properties , 2002 .
[20] T. Matsui,et al. Estimation of band-gap energy of intrinsic InN from photoluminescence properties of undoped and Si-doped InN films grown by plasma-assisted molecular-beam epitaxy , 2004 .
[21] Suhuai Wei,et al. Band structure and fundamental optical transitions in wurtzite AlN , 2003 .
[22] Teresa Monteiro,et al. Compositional dependence of the strain-free optical band gap in InxGa1−xN layers , 2001 .
[23] J. Waldrop,et al. Measurement of AlN/GaN (0001) heterojunction band offsets by x‐ray photoemission spectroscopy , 1996 .
[24] Hongen Shen,et al. In-polar InN grown by plasma-assisted molecular beam epitaxy , 2006 .
[25] A. Janotti,et al. Effects of surface reconstructions on oxygen adsorption at AlN polar surfaces , 2010 .
[26] Baroni,et al. Band offsets in lattice-matched heterojunctions: A model and first-principles calculations for GaAs/AlAs. , 1988, Physical review letters.
[27] G. Rignanese,et al. Band offsets at the Si/SiO2 interface from many-body perturbation theory. , 2008, Physical review letters.
[28] P. H. Jefferson,et al. Valence band offset of InN∕AlN heterojunctions measured by x-ray photoelectron spectroscopy , 2007 .
[29] M. Nardelli,et al. Strain effects on the interface properties of nitride semiconductors , 1997 .
[30] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[31] Dieter Bimberg,et al. Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory , 2006 .
[32] A. Kahn,et al. Investigation of the chemistry and electronic properties of metal/gallium nitride interfaces , 1998 .
[33] Gustavo E. Scuseria,et al. Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] , 2006 .
[34] Rajendra Dahal,et al. InGaN/GaN multiple quantum well solar cells with long operating wavelengths , 2009 .
[35] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[36] Godby,et al. First-principles calculations of many-body band-gap narrowing at an Al/GaAs(110) interface. , 1993, Physical review letters.
[37] Paolo Lugli,et al. AlN and GaN epitaxial heterojunctions on 6H–SiC(0001): Valence band offsets and polarization fields , 1999 .
[38] L. Romano,et al. Effect of composition on the band gap of strained InxGa1−xN alloys , 2003 .
[39] G. Kresse,et al. Ab initio molecular dynamics for liquid metals. , 1993 .
[40] Alfonso Franciosi,et al. Heterojunction band offset engineering , 1996 .
[41] Chih-I Wu,et al. GaN (0001)-(1×1) surfaces: Composition and electronic properties , 1998 .
[42] Takashi Ito,et al. Band-Edge Energies and Photoelectrochemical Properties of n-Type Al x Ga1 − x N and In y Ga1 − y N Alloys , 2007 .
[43] C. Walle,et al. Small valence-band offsets at GaN/InGaN heterojunctions , 1997 .
[44] A. Kahn,et al. Electronic states at aluminum nitride (0001)-1×1 surfaces , 1999 .
[45] S. Nakamura. InGaN/AlGaN blue-light-emitting diodes , 1995 .
[46] Umesh K. Mishra,et al. High quantum efficiency InGaN/GaN solar cells with 2.95 eV band gap , 2008 .
[47] A. Baldereschi,et al. Band-offset trends in nitride heterojunctions , 2001 .
[48] M. Scheffler,et al. Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN , 2008, 0801.0421.
[49] Zhu,et al. Quasiparticle band structure of thirteen semiconductors and insulators. , 1991, Physical review. B, Condensed matter.
[50] Alan Francis Wright,et al. Bowing parameters for zinc‐blende Al1−xGaxN and Ga1−xInxN , 1995 .
[51] Eugene E. Haller,et al. Small band gap bowing in In1−xGaxN alloys , 2002 .
[52] Á. Rubio,et al. Quasiparticle band structures of short-period superlattices and ordered alloys of AlN and GaN. , 1994, Physical review. B, Condensed matter.
[53] J. Pankove,et al. Epitaxially grown AlN and its optical band gap , 1973 .
[54] Kazuhiro Ohkawa,et al. Photoelectrochemical reaction and H2 generation at zero bias optimized by carrier concentration of n-type GaN. , 2007, The Journal of chemical physics.
[55] Pierre Ruterana,et al. First-principles investigation of lattice constants and bowing parameters in wurtzite AlxGa1−xN, InxGa1−xN and InxAl1−xN alloys , 2003 .
[56] Michael Heuken,et al. Optical, structural investigations and band-gap bowing parameter of GaInN alloys , 2009 .
[57] J. J. Tietjen,et al. THE PREPARATION AND PROPERTIES OF VAPOR‐DEPOSITED SINGLE‐CRYSTAL‐LINE GaN , 1969 .
[58] Ray-Hua Horng,et al. High-quality InGaN∕GaN heterojunctions and their photovoltaic effects , 2008 .
[59] J. Misiewicz,et al. Contactless electroreflectance of InGaN layers with indium content <=36%: The surface band bending, band gap bowing, and Stokes shift issues , 2009 .
[60] L. Romano,et al. Large and composition-dependent band gap bowing in InxGa1-xN alloys , 1999 .
[61] O. Madelung. Semiconductors - Basic Data , 2012 .
[62] Ferreira,et al. Special quasirandom structures. , 1990, Physical review letters.
[63] S. Gwo,et al. Polarization-induced valence-band alignments at cation- and anion-polar InN∕GaN heterojunctions , 2007 .
[64] Poul Georg Moses,et al. Band bowing and band alignment in InGaN alloys , 2010 .
[65] Yen-Kuang Kuo,et al. First-principles calculation for bowing parameter of wurtzite InxGa1 − xN , 2005 .
[66] Heinz Schulz,et al. Crystal structure refinement of AlN and GaN , 1977 .
[67] Eugene E. Haller,et al. Temperature dependence of the fundamental band gap of InN , 2003 .
[68] C. Shih,et al. Band Offsets of InN/GaN Interface , 2005 .
[69] C. Caetano,et al. Phase stability, chemical bonds, and gap bowing ofInxGa1−xNalloys: Comparison between cubic and wurtzite structures , 2006 .
[70] R. Davis,et al. Preparation and characterization of atomically clean, stoichiometric surfaces of n- and p-type GaN(0001) , 2003 .
[71] Arthur J. Nozik,et al. Photoelectrochemistry: Applications to Solar Energy Conversion , 1978 .
[72] K. Fujii,et al. Photoelectrochemical Properties of InGaN for H2 Generation from Aqueous Water , 2005 .
[73] M. Scheffler,et al. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN , 2009 .
[74] Lara K. Teles,et al. Influence of composition fluctuations and strain on gap bowing inInxGa1−xN , 2001 .
[75] Hadis Morkoç,et al. Valence‐band discontinuities of wurtzite GaN, AlN, and InN heterojunctions measured by x‐ray photoemission spectroscopy , 1996 .
[76] K. H. Ploog,et al. Strong localization in InGaN layers with high In content grown by molecular-beam epitaxy , 2002 .
[77] F. Bechstedt,et al. Band‐structure and optical‐transition parameters of wurtzite MgO, ZnO, and CdO from quasiparticle calculations , 2009 .
[78] E. Haller,et al. On the crystalline structure, stoichiometry and band gap of InN thin films , 2004 .
[79] S. M. Durbin,et al. InN/GaN valence band offset : high-resolution x-ray photoemission spectroscopy measurements , 2008 .
[80] T. Suski,et al. Influence of indium clustering on the band structure of semiconducting ternary and quaternary nitride alloys , 2009 .
[81] Robert F. Davis,et al. UV photoemission study of heteroepitaxial AlGaN films grown on 6H-SiC , 1996 .
[82] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[83] W. Mitchel,et al. Theory of the composition dependence of the band offset and sheet carrier density in the GaN/AlxGa1−xN heterostructure , 2004 .
[84] K. Fujii,et al. Bias-Assisted H2 Gas Generation in HCl and KOH Solutions Using n-Type GaN Photoelectrode , 2006 .
[85] S. Denbaars,et al. Photoelectrochemical Properties of Nonpolar and Semipolar GaN , 2007 .
[86] Jerry R. Meyer,et al. Band parameters for nitrogen-containing semiconductors , 2003 .
[87] S. Louie,et al. Quasiparticle calculation of valence band offset of AlAs-GaAs(001) , 1988 .
[88] Michael Kunzer,et al. Determination of the GaN/AlN band offset via the (/0) acceptor level of iron , 1994 .
[89] Vincenzo Fiorentini,et al. MACROSCOPIC POLARIZATION AND BAND OFFSETS AT NITRIDE HETEROJUNCTIONS , 1998 .
[90] Martin,et al. Theoretical study of band offsets at semiconductor interfaces. , 1987, Physical review. B, Condensed matter.
[91] Shuji Nakamura,et al. Direct water photoelectrolysis with patterned n-GaN , 2007 .
[92] Su-Huai Wei,et al. Valence band splittings and band offsets of AlN, GaN, and InN , 1996 .
[93] Valence-band discontinuities between InGaN and GaN evaluated by capacitance-voltage characteristics of p-InGaN/n-GaN diodes , 2002 .
[94] Van de Walle CG,et al. "Absolute" deformation potentials: Formulation and ab initio calculations for semiconductors. , 1989, Physical review letters.
[95] Matthew D. McCluskey,et al. LARGE BAND GAP BOWING OF INXGA1-XN ALLOYS , 1998 .
[96] Oliver Ambacher,et al. Energy gap and optical properties of InxGa1–xN , 2003 .
[97] M. Kurouchi,et al. Radio frequency-molecular beam epitaxial growth of InN epitaxial films on (0001) sapphire and their properties , 2004 .
[98] S. Trasatti. The absolute electrode potential: an explanatory note (Recommendations 1986) , 1986 .
[99] J. Paier,et al. Screened hybrid density functionals applied to solids. , 2006, The Journal of chemical physics.
[100] W. Mönch. Empirical tight‐binding calculation of the branch‐point energy of the continuum of interface‐induced gap states , 1996 .
[101] Victor M. Bermudez,et al. Study of oxygen chemisorption on the GaN(0001)‐(1×1) surface , 1996 .
[102] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[103] Oliver Ambacher,et al. Electron affinity of AlxGa1−xN(0001) surfaces , 2001 .
[104] M. Paisley,et al. AlN/GaN superlattices grown by gas source molecular beam epitaxy , 1991 .
[105] Oliver Ambacher,et al. Optical constants of epitaxial AlGaN films and their temperature dependence , 1997 .
[106] Isamu Akasaki,et al. Optical band gap in Ga1−xInxN (0 , 1998 .
[107] A. Janotti,et al. Reconstructions and origin of surface states on AlN polar and nonpolar surfaces , 2009 .
[108] P. Vogl,et al. Stability and band offsets of AlN/GaN heterostructures: impact on device performance , 1998 .