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Kevin F Brennan - One of the best experts on this subject based on the ideXlab platform.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part ii ternary alloys alxga1 xn inxga1 xn and inxal1 xn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Carlo Garetto, Giovanni Ghione, Kevin F BrennanAbstract:This work presents detailed information on the band structures of the III-nitride wurtzite ternary alloys, computed through the virtual crystal approximation approach. The key ingredient of this study is the set of realistic atomic effective potentials described in Part I of the present work, dedicated to the constituent binary compounds. The model relies on the linear interpolation of the structural parameters and of the local and nonlocal effective potentials: no further empirical corrections are included. The dependence on the mole fraction is computed for the energy gaps at all the high-symmetry points, the valence-band width, and the electron effective masses in the valleys relevant for carrier-transport simulation.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valleys are tabulated as well in order to facilitate analytical Monte Carlo transport simulations.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valle...
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Calculation of the wave vector dependent interband impact ionization transition rate in wurtzite and zinc blende phases of bulk gan
Journal of Applied Physics, 1996Co-Authors: J Kolnik, Kevin F Brennan, Ismail H Oguzman, R Wang, P P RudenAbstract:We present Calculations of the wave‐vector‐dependent interband impact‐ionization transition rate in wurtzite and zinc‐blende phases of bulk GaN. The transition rate is determined by integrating Fermi’s golden rule for a two‐body, screened Coulomb interaction over the possible final states using a numerically generated dielectric function and pseudowavefunctions. The full details of all relevant conduction and valence bands in zinc‐blende and wurtzite GaN are included from an empirical Pseudopotential Calculation. It is found that the transition rate is consistent with a relatively ‘‘soft’’ threshold energy.
Michele Goano - One of the best experts on this subject based on the ideXlab platform.
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electronic structure of wurtzite zno nonlocal Pseudopotential and ab initio Calculations
Journal of Applied Physics, 2007Co-Authors: Michele Goano, Francesco Bertazzi, Michele Penna, Enrico BellottiAbstract:A nonlocal semiempirical Pseudopotential Calculation of the electronic structure of wurtzite ZnO is proposed. The local and nonlocal components of the atomic effective potentials have been sequentially optimized and an excellent quantitative agreement has been achieved with a wide range of band features (energy gaps at high symmetry points, valence band ordering, in-plane and perpendicular components of the effective masses for electrons and holes at Γ), selected not only from available experimental and ab initio results, but also from new Calculations performed with the code developed by the ABINIT project. The valence band description has been further improved through the inclusion of spin-orbit corrections. The complex dielectric function along the main crystallographic directions corresponding to the optimized electronic structure is also presented, along with extensive comparisons of all the computed quantities with the literature data.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part ii ternary alloys alxga1 xn inxga1 xn and inxal1 xn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Carlo Garetto, Giovanni Ghione, Kevin F BrennanAbstract:This work presents detailed information on the band structures of the III-nitride wurtzite ternary alloys, computed through the virtual crystal approximation approach. The key ingredient of this study is the set of realistic atomic effective potentials described in Part I of the present work, dedicated to the constituent binary compounds. The model relies on the linear interpolation of the structural parameters and of the local and nonlocal effective potentials: no further empirical corrections are included. The dependence on the mole fraction is computed for the energy gaps at all the high-symmetry points, the valence-band width, and the electron effective masses in the valleys relevant for carrier-transport simulation.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valleys are tabulated as well in order to facilitate analytical Monte Carlo transport simulations.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valle...
Enrico Bellotti - One of the best experts on this subject based on the ideXlab platform.
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electronic structure of wurtzite zno nonlocal Pseudopotential and ab initio Calculations
Journal of Applied Physics, 2007Co-Authors: Michele Goano, Francesco Bertazzi, Michele Penna, Enrico BellottiAbstract:A nonlocal semiempirical Pseudopotential Calculation of the electronic structure of wurtzite ZnO is proposed. The local and nonlocal components of the atomic effective potentials have been sequentially optimized and an excellent quantitative agreement has been achieved with a wide range of band features (energy gaps at high symmetry points, valence band ordering, in-plane and perpendicular components of the effective masses for electrons and holes at Γ), selected not only from available experimental and ab initio results, but also from new Calculations performed with the code developed by the ABINIT project. The valence band description has been further improved through the inclusion of spin-orbit corrections. The complex dielectric function along the main crystallographic directions corresponding to the optimized electronic structure is also presented, along with extensive comparisons of all the computed quantities with the literature data.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part ii ternary alloys alxga1 xn inxga1 xn and inxal1 xn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Carlo Garetto, Giovanni Ghione, Kevin F BrennanAbstract:This work presents detailed information on the band structures of the III-nitride wurtzite ternary alloys, computed through the virtual crystal approximation approach. The key ingredient of this study is the set of realistic atomic effective potentials described in Part I of the present work, dedicated to the constituent binary compounds. The model relies on the linear interpolation of the structural parameters and of the local and nonlocal effective potentials: no further empirical corrections are included. The dependence on the mole fraction is computed for the energy gaps at all the high-symmetry points, the valence-band width, and the electron effective masses in the valleys relevant for carrier-transport simulation.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valleys are tabulated as well in order to facilitate analytical Monte Carlo transport simulations.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valle...
Giovanni Ghione - One of the best experts on this subject based on the ideXlab platform.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part ii ternary alloys alxga1 xn inxga1 xn and inxal1 xn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Carlo Garetto, Giovanni Ghione, Kevin F BrennanAbstract:This work presents detailed information on the band structures of the III-nitride wurtzite ternary alloys, computed through the virtual crystal approximation approach. The key ingredient of this study is the set of realistic atomic effective potentials described in Part I of the present work, dedicated to the constituent binary compounds. The model relies on the linear interpolation of the structural parameters and of the local and nonlocal effective potentials: no further empirical corrections are included. The dependence on the mole fraction is computed for the energy gaps at all the high-symmetry points, the valence-band width, and the electron effective masses in the valleys relevant for carrier-transport simulation.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valleys are tabulated as well in order to facilitate analytical Monte Carlo transport simulations.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valle...
Enrico Ghillino - One of the best experts on this subject based on the ideXlab platform.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part ii ternary alloys alxga1 xn inxga1 xn and inxal1 xn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Carlo Garetto, Giovanni Ghione, Kevin F BrennanAbstract:This work presents detailed information on the band structures of the III-nitride wurtzite ternary alloys, computed through the virtual crystal approximation approach. The key ingredient of this study is the set of realistic atomic effective potentials described in Part I of the present work, dedicated to the constituent binary compounds. The model relies on the linear interpolation of the structural parameters and of the local and nonlocal effective potentials: no further empirical corrections are included. The dependence on the mole fraction is computed for the energy gaps at all the high-symmetry points, the valence-band width, and the electron effective masses in the valleys relevant for carrier-transport simulation.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valleys are tabulated as well in order to facilitate analytical Monte Carlo transport simulations.
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band structure nonlocal Pseudopotential Calculation of the iii nitride wurtzite phase materials system part i binary compounds gan aln and inn
Journal of Applied Physics, 2000Co-Authors: Michele Goano, Enrico Bellotti, Enrico Ghillino, Giovanni Ghione, Kevin F BrennanAbstract:This work presents nonlocal Pseudopotential Calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN. A formulation formulation for the model effective atomic potentials has been introduced. For each of the constitutive atoms in these materials, the form of the effective potentials is optimized through an iterative scheme in which the band structures are recursively calculated and selected features are compared to experimental and/or ab initio results. The optimized forms of the effective atomic potentials are used to calculate the band structures of the binary compounds, GaN, InN, and AlN. The calculated band structures are in excellent overall agreement with the experimental/ab initio values, i.e., the energy gaps at high-symmetry points, valence-band ordering, and effective masses for electrons match to within 3%, with a few values within 5%. The values of the energy separation, effective masses, and nonparabolicity coefficients for several secondary valle...
