Band gaps and defect levels in functional oxides

[1]  J. Robertson.  High dielectric constant oxides , 2004 .

[2]  H. Ohta,et al.  Room-temperature fabrication of transparent flexible thin-film transistors using amorphous oxide semiconductors , 2004, Nature.

[3]  Pedro Barquinha,et al.  Wide-bandgap high-mobility ZnO thin-film transistors produced at room temperature , 2004 .

[4]  Hideki Takeuchi,et al.  Observation of bulk HfO2 defects by spectroscopic ellipsometry , 2004 .

[5]  M. Alfredsson,et al.  The Performance of Hybrid Density Functionals in Solid State Chemistry , 2005 .

[6]  J. Robertson,et al.  Doping and hydrogen in wide gap oxides , 2003 .

[7]  S. Cox.  The shallow-to-deep instability of hydrogen and muonium in II-VI and III-V semiconductors , 2003 .

[8]  John Robertson,et al.  Behavior of hydrogen in high dielectric constant oxide gate insulators , 2003 .

[9]  R. Nieminen,et al.  Non-local screened-exchange calculations for defects in semiconductors: vacancy in silicon , 2003 .

[10]  Chris G. Van de Walle,et al.  Universal alignment of hydrogen levels in semiconductors, insulators and solutions , 2003, Nature.

[11]  H. Ohta,et al.  Thin-Film Transistor Fabricated in Single-Crystalline Transparent Oxide Semiconductor , 2003, Science.

[12]  Alessio Filippetti,et al.  Self-interaction-corrected pseudopotential scheme for magnetic and strongly-correlated systems , 2003 .

[13]  John Robertson,et al.  Band offsets and Schottky barrier heights of high dielectric constant oxides , 2002 .

[14]  A. Zunger,et al.  n-type doping of oxides by hydrogen , 2002 .

[15]  S. Clark,et al.  Nonlocal density-functional description of exchange and correlation in silicon , 2002 .

[16]  B. Ingram,et al.  Defect chemistry and physical properties of transparent conducting oxides in the CdO-In2O3-SnO2 system , 2002 .

[17]  A. Freeman,et al.  First-principles calculations for understanding high conductivity and optical transparency in InxCd1−xO films , 2002 .

[18]  J. Robertson,et al.  Electronic structure of p-type conducting transparent oxides , 2002 .

[19]  A. Shluger,et al.  Vacancy and interstitial defects in hafnia , 2002 .

[20]  H. Ohta,et al.  Electronic structure and optical properties of SrCu2O2 , 2002 .

[21]  Alex Zunger,et al.  Origins of coexistence of conductivity and transparency in SnO(2). , 2002, Physical review letters.

[22]  S. Zhang,et al.  First-principles study of transparent p -type conductive SrCu 2 O 2 and related compounds , 2002 .

[23]  S. Zhang,et al.  Bipolar doping and band-gap anomalies in delafossite transparent conductive oxides. , 2002, Physical review letters.

[24]  Arthur J Freeman,et al.  Electronic band structure of indium tin oxide and criteria for transparent conducting behavior , 2001 .

[25]  A. Shluger,et al.  Structure and electrical levels of point defects in monoclinic zirconia , 2001 .

[26]  N. Harrison,et al.  On the prediction of band gaps from hybrid functional theory , 2001 .

[27]  A. Freeman,et al.  Computational band-structure engineering of III–V semiconductor alloys , 2001 .

[28]  V. Walle,et al.  Hydrogen as a cause of doping in zinc oxide , 2000 .

[29]  J. Robertson.  Band offsets of wide-band-gap oxides and implications for future electronic devices , 2000 .

[30]  Park,et al.  Effect of interstitial hydrogen impurities on ferroelectric polarization in PbTiO3 , 2000, Physical review letters.

[31]  Roberto Dovesi,et al.  The Periodic Hartree‐Fock Method and Its Implementation in the CRYSTAL Code , 2000 .

[32]  M. Payne,et al.  Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane‐wave study , 2000 .

[33]  J. Stathis,et al.  HYDROGEN ELECTROCHEMISTRY AND STRESS-INDUCED LEAKAGE CURRENT IN SILICA , 1999 .

[34]  A. Freeman,et al.  Optical properties and electronic structures of semiconductors with screened-exchange lda , 1999 .

[35]  N. Ashcroft,et al.  CORRECTIONS TO DENSITY-FUNCTIONAL THEORY BAND GAPS , 1998 .

[36]  F. Illas,et al.  Optical properties of surface and bulk F centers in MgO from ab initio cluster model calculations , 1998 .

[37]  Hideo Hosono,et al.  P-type electrical conduction in transparent thin films of CuAlO2 , 1997, Nature.

[38]  S. Iwata,et al.  Study on Electronic Structure and Optoelectronic Properties of Indium Oxide by First-Principles Calculations , 1997 .

[39]  A. Yokozawa,et al.  First-principles calculations for charged states of hydrogen atoms in SiO 2 , 1997 .

[40]  Charlesworth.  Weighted-density approximation in metals and semiconductors. , 1996, Physical review. B, Condensed matter.

[41]  Vogl,et al.  Generalized Kohn-Sham schemes and the band-gap problem. , 1996, Physical review. B, Condensed matter.

[42]  Van de Walle CG,et al.  Hydrogen in GaN: Novel aspects of a common impurity. , 1995, Physical review letters.

[43]  Baldereschi,et al.  Dielectric scaling of the self-energy scissor operator in semiconductors and insulators. , 1995, Physical review. B, Condensed matter.

[44]  A. Becke.  Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[45]  V. Anisimov,et al.  Band theory and Mott insulators: Hubbard U instead of Stoner I. , 1991, Physical review. B, Condensed matter.

[46]  D. Vanderbilt,et al.  Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. , 1990, Physical review. B, Condensed matter.

[47]  L. Kleinman,et al.  Good semiconductor band gaps with a modified local-density approximation. , 1990, Physical review. B, Condensed matter.

[48]  Wang,et al.  Electronic structure of vacancy defects in MgO crystals. , 1990, Physical review. B, Condensed matter.

[49]  Klein,et al.  Theory of F centers in the alkaline-earth oxides MgO and CaO. , 1987, Physical review. B, Condensed matter.

[50]  I. Hamberg,et al.  Evaporated Sn‐doped In2O3 films: Basic optical properties and applications to energy‐efficient windows , 1986 .

[51]  Louie,et al.  Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies. , 1986, Physical review. B, Condensed matter.

[52]  John P. Perdew,et al.  Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities , 1983 .

[53]  J. A. Alonso,et al.  Nonlocal approximation to the exchange potential and kinetic energy of an inhomogeneous electron gas , 1978 .