Matching Items (10)
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- All Subjects: Monte Carlo method
- All Subjects: Cathodoluminescence
- Genre: Doctoral Dissertation
- Creators: Shumway, John
- Creators: Goodnick, Stephen M
Description
The work contained in this dissertation is focused on the optical properties of direct band gap semiconductors which crystallize in a wurtzite structure: more specifically, the III-nitrides and ZnO. By using cathodoluminescence spectroscopy, many of their properties have been investigated, including band gaps, defect energy levels, carrier lifetimes, strain states, exciton binding energies, and effects of electron irradiation on luminescence. Part of this work is focused on p-type Mg-doped GaN and InGaN. These materials are extremely important for the fabrication of visible light emitting diodes and diode lasers and their complex nature is currently not entirely understood. The luminescence of Mg-doped GaN films has been correlated with electrical and structural measurements in order to understand the behavior of hydrogen in the material. Deeply-bound excitons emitting near 3.37 and 3.42 eV are observed in films with a significant hydrogen concentration during cathodoluminescence at liquid helium temperatures. These radiative transitions are unstable during electron irradiation. Our observations suggest a hydrogen-related nature, as opposed to a previous assignment of stacking fault luminescence. The intensity of the 3.37 eV transition can be correlated with the electrical activation of the Mg acceptors. Next, the acceptor energy level of Mg in InGaN is shown to decrease significantly with an increase in the indium composition. This also corresponds to a decrease in the resistivity of these films. In addition, the hole concentration in multiple quantum well light emitting diode structures is much more uniform in the active region when Mg-doped InGaN (instead of Mg-doped GaN) is used. These results will help improve the efficiency of light emitting diodes, especially in the green/yellow color range. Also, the improved hole transport may prove to be important for the development of photovoltaic devices. Cathodoluminescence studies have also been performed on nanoindented ZnO crystals. Bulk, single crystal ZnO was indented using a sub-micron spherical diamond tip on various surface orientations. The resistance to deformation (the "hardness") of each surface orientation was measured, with the c-plane being the most resistive. This is due to the orientation of the easy glide planes, the c-planes, being positioned perpendicularly to the applied load. The a-plane oriented crystal is the least resistive to deformation. Cathodoluminescence imaging allows for the correlation of the luminescence with the regions located near the indentation. Sub-nanometer shifts in the band edge emission have been assigned to residual strain the crystals. The a- and m-plane oriented crystals show two-fold symmetry with regions of compressive and tensile strain located parallel and perpendicular to the ±c-directions, respectively. The c-plane oriented crystal shows six-fold symmetry with regions of tensile strain extending along the six equivalent a-directions.
ContributorsJuday, Reid (Author) / Ponce, Fernando A. (Thesis advisor) / Drucker, Jeff (Committee member) / Mccartney, Martha R (Committee member) / Menéndez, Jose (Committee member) / Shumway, John (Committee member) / Arizona State University (Publisher)
Created2013
Description
Monte Carlo methods often used in nuclear physics, such as auxiliary field diffusion Monte Carlo and Green's function Monte Carlo, have typically relied on phenomenological local real-space potentials containing as few derivatives as possible, such as the Argonne-Urbana family of interactions, to make sampling simple and efficient. Basis set methods such as no-core shell model or coupled-cluster techniques typically use softer non-local potentials because of their more rapid convergence with basis set size. These non-local potentials are typically defined in momentum space and are often based on effective field theory. Comparisons of the results of the two types of methods are complicated by the use of different potentials. This thesis discusses progress made in using such non-local potentials in quantum Monte Carlo calculations of light nuclei. In particular, it shows methods for evaluating the real-space, imaginary-time propagators needed to perform quantum Monte Carlo calculations using non-local potentials and universality properties of these propagators, how to formulate a good trial wave function for non-local potentials, and how to perform a "one-step" Green's function Monte Carlo calculation for non-local potentials.
ContributorsLynn, Joel E (Author) / Schmidt, Kevin E (Thesis advisor) / Alarcon, Ricardo (Committee member) / Lebed, Richard (Committee member) / Shovkovy, Igor (Committee member) / Shumway, John (Committee member) / Arizona State University (Publisher)
Created2013
Description
Nitride semiconductors have wide applications in electronics and optoelectronics technologies. Understanding the nature of the optical recombination process and its effects on luminescence efficiency is important for the development of novel devices. This dissertation deals with the optical properties of nitride semiconductors, including GaN epitaxial layers and more complex heterostructures. The emission characteristics are examined by cathodoluminescence spectroscopy and imaging, and are correlated with the structural and electrical properties studied by transmission electron microscopy and electron holography. Four major areas are covered in this dissertation, which are described next. The effect of strain on the emission characteristics in wurtzite GaN has been studied. The values of the residual strain in GaN epilayers with different dislocation densities are determined by x-ray diffraction, and the relationship between exciton emission energy and the in-plane residual strain is demonstrated. It shows that the emission energy increases withthe magnitude of the in-plane compressive strain. The temperature dependence of the emission characteristics in cubic GaN has been studied. It is observed that the exciton emission and donor-acceptor pair recombination behave differently with temperature. The donor-bound exciton binding energy has been measured to be 13 meV from the temperature dependence of the emission spectrum. It is also found that the ionization energies for both acceptors and donors are smaller in cubic compared with hexagonal structures, which should contribute to higher doping efficiencies. A comprehensive study on the structural and optical properties is presented for InGaN/GaN quantum wells emitting in the blue, green, and yellow regions of the electromagnetic spectrum. Transmission electron microscopy images indicate the presence of indium inhomogeneties which should be responsible for carrier localization. The temperature dependence of emission luminescence shows that the carrier localization effects become more significant with increasing emission wavelength. On the other hand, the effect of non-radiative recombination on luminescence efficiency also varies with the emission wavelength. The fast increase of the non-radiative recombination rate with temperature in the green emitting QWs contributes to the lower efficiency compared with the blue emitting QWs. The possible saturation of non-radiative recombination above 100 K may explain the unexpected high emission efficiency for the yellow emitting QWs Finally, the effects of InGaN underlayers on the electronic and optical properties of InGaN/GaN quantum wells emitting in visible spectral regions have been studied. A significant improvement of the emission efficiency is observed, which is associated with a blue shift in the emission energy, a reduced recombination lifetime, an increased spatial homogeneity in the luminescence, and a weaker internal field across the quantum wells. These are explained by a partial strain relaxation introduced by the InGaN underlayer, which is measured by reciprocal space mapping of the x-ray diffraction intensity.
ContributorsLi, Di (Author) / Ponce, Fernando (Thesis advisor) / Culbertson, Robert (Committee member) / Yu, Hongbin (Committee member) / Shumway, John (Committee member) / Menéndez, Jose (Committee member) / Arizona State University (Publisher)
Created2012
Description
Spin-orbit interactions are important in determining nuclear structure. They lead to a shift in the energy levels in the nuclear shell model, which could explain the sequence of magic numbers in nuclei. Also in nucleon-nucleon scattering, the large nucleon polarization observed perpendicular to the plane of scattering needs to be explained by adding the spin-orbit interactions in the potential. Their effects change the equation of state and other properties of nuclear matter. Therefore, the simulation of spin-orbit interactions is necessary in nuclear matter.
The auxiliary field diffusion Monte Carlo is an effective and accurate method for calculating the ground state and low-lying exited states in nuclei and nuclear matter. It has successfully employed the Argonne v6' two-body potential to calculate the equation of state in nuclear matter, and has been applied to light nuclei with reasonable agreement with experimental results. However, the spin-orbit interactions were not included in the previous simulations, because the isospin-dependent spin-orbit potential is difficult in the quantum Monte Carlo method. This work develops a new method using extra auxiliary fields to break up the interactions between nucleons, so that the spin-orbit interaction with isospin can be included in the Hamiltonian, and ground-state energy and other properties can be obtained.
The auxiliary field diffusion Monte Carlo is an effective and accurate method for calculating the ground state and low-lying exited states in nuclei and nuclear matter. It has successfully employed the Argonne v6' two-body potential to calculate the equation of state in nuclear matter, and has been applied to light nuclei with reasonable agreement with experimental results. However, the spin-orbit interactions were not included in the previous simulations, because the isospin-dependent spin-orbit potential is difficult in the quantum Monte Carlo method. This work develops a new method using extra auxiliary fields to break up the interactions between nucleons, so that the spin-orbit interaction with isospin can be included in the Hamiltonian, and ground-state energy and other properties can be obtained.
ContributorsZhang, Jie (Author) / Schmidt, Kevin E (Thesis advisor) / Alarcon, Ricardo (Committee member) / Lebed, Richard (Committee member) / Shumway, John (Committee member) / Arizona State University (Publisher)
Created2014
Description
he accurate simulation of many-body quantum systems is a challenge for computational physics. Quantum Monte Carlo methods are a class of algorithms that can be used to solve the many-body problem. I study many-body quantum systems with Path Integral Monte Carlo techniques in three related areas of semiconductor physics: (1) the role of correlation in exchange coupling of spins in double quantum dots, (2) the degree of correlation and hyperpolarizability in Stark shifts in InGaAs/GaAs dots, and (3) van der Waals interactions between 1-D metallic quantum wires at finite temperature. The two-site model is one of the simplest quantum problems, yet the quantitative mapping from a three-dimensional model of a quantum double dot to an effective two-site model has many subtleties requiring careful treatment of exchange and correlation. I calculate exchange coupling of a pair of spins in a double dot from the permutations in a bosonic path integral, using Monte Carlo method. I also map this problem to a Hubbard model and find that exchange and correlation renormalizes the model parameters, dramatically decreasing the effective on-site repulsion at larger separations. Next, I investigated the energy, dipole moment, polarizability and hyperpolarizability of excitonic system in InGaAs/GaAs quantum dots of different shapes and successfully give the photoluminescence spectra for different dots with electric fields in both the growth and transverse direction. I also showed that my method can deal with the higher-order hyperpolarizability, which is most relevant for fields directed in the lateral direction of large dots. Finally, I show how van der Waals interactions between two metallic quantum wires change with respect to the distance between them. Comparing the results from quantum Monte Carlo and the random phase approximation, I find similar power law dependance. My results for the calculation in quasi-1D and exact 1D wires include the effect of temperature, which has not previously been studied.
ContributorsZhang, Lei (Author) / Shumway, John (Thesis advisor) / Schmidt, Kevin (Committee member) / Bennet, Peter (Committee member) / Menéndez, Jose (Committee member) / Drucker, Jeff (Committee member) / Arizona State University (Publisher)
Created2011
Description
The drive towards device scaling and large output power in millimeter and sub-millimeter wave power amplifiers results in a highly non-linear, out-of-equilibrium charge transport regime. Particle-based Full Band Monte Carlo device simulators allow an accurate description of this carrier dynamics at the nanoscale. This work initially compares GaN high electron mobility transistors (HEMTs) based on the established Ga-face technology and the emerging N-face technology, through a modeling approach that allows a fair comparison, indicating that the N-face devices exhibit improved performance with respect to Ga-face ones due to the natural back-barrier confinement that mitigates short-channel-effects. An investigation is then carried out on the minimum aspect ratio (i.e. gate length to gate-to-channel-distance ratio) that limits short channel effects in ultra-scaled GaN and InP HEMTs, indicating that this value in GaN devices is 15 while in InP devices is 7.5. This difference is believed to be related to the different dielectric properties of the two materials, and the corresponding different electric field distributions. The dielectric effects of the passivation layer in millimeter-wave, high-power GaN HEMTs are also investigated, finding that the effective gate length is increased by fringing capacitances, enhanced by the dielectrics in regions adjacent to the gate for layers thicker than 5 nm, strongly affecting the frequency performance of deep sub-micron devices. Lastly, efficient Full Band Monte Carlo particle-based device simulations of the large-signal performance of mm-wave transistor power amplifiers with high-Q matching networks are reported for the first time. In particular, a CellularMonte Carlo (CMC) code is self-consistently coupled with a Harmonic Balance (HB) frequency domain circuit solver. Due to the iterative nature of the HB algorithm, this simulation approach is possible only due to the computational efficiency of the CMC, which uses pre-computed scattering tables. On the other hand, HB allows the direct simulation of the steady-state behavior of circuits with long transient time. This work provides an accurate and efficient tool for the device early-stage design, which allows a computerbased performance evaluation in lieu of the extremely time-consuming and expensive iterations of prototyping and experimental large-signal characterization.
ContributorsGuerra, Diego (Author) / Saraniti, Marco (Thesis advisor) / Ferry, David K. (Committee member) / Goodnick, Stephen M (Committee member) / Ozev, Sule (Committee member) / Arizona State University (Publisher)
Created2011
Description
In this work, the insight provided by our sophisticated Full Band Monte Carlo simulator is used to analyze the behavior of state-of-art devices like GaN High Electron Mobility Transistors and Hot Electron Transistors. Chapter 1 is dedicated to the description of the simulation tool used to obtain the results shown in this work. Moreover, a separate section is dedicated the set up of a procedure to validate to the tunneling algorithm recently implemented in the simulator. Chapter 2 introduces High Electron Mobility Transistors (HEMTs), state-of-art devices characterized by highly non linear transport phenomena that require the use of advanced simulation methods. The techniques for device modeling are described applied to a recent GaN-HEMT, and they are validated with experimental measurements. The main techniques characterization techniques are also described, including the original contribution provided by this work. Chapter 3 focuses on a popular technique to enhance HEMTs performance: the down-scaling of the device dimensions. In particular, this chapter is dedicated to lateral scaling and the calculation of a limiting cutoff frequency for a device of vanishing length. Finally, Chapter 4 and Chapter 5 describe the modeling of Hot Electron Transistors (HETs). The simulation approach is validated by matching the current characteristics with the experimental one before variations of the layouts are proposed to increase the current gain to values suitable for amplification. The frequency response of these layouts is calculated, and modeled by a small signal circuit. For this purpose, a method to directly calculate the capacitance is developed which provides a graphical picture of the capacitative phenomena that limit the frequency response in devices. In Chapter 5 the properties of the hot electrons are investigated for different injection energies, which are obtained by changing the layout of the emitter barrier. Moreover, the large signal characterization of the HET is shown for different layouts, where the collector barrier was scaled.
ContributorsSoligo, Riccardo (Author) / Saraniti, Marco (Thesis advisor) / Goodnick, Stephen M (Committee member) / Chowdhury, Srabanti (Committee member) / Thornton, Trevor (Committee member) / Arizona State University (Publisher)
Created2016
Description
In this work, transport in nanowire materials and nanowire field effect transistors is studied using a full band Monte Carlo simulator within the tight binding basis. Chapter 1 is dedicated to the importance of nanowires and nanoscale devices in present day electronics and the necessity to use a computationally efficient tool to simulate transport in these devices. Chapter 2 discusses the calculation of the full band structure of nanowires based on an atomistic tight binding approach, particularly noting the use of the exact same tight binding parameters for bulk band structures as well as the nanowire band structures. Chapter 3 contains the scattering rate formula for deformation potential, polar optical phonon, ionized impurity and impact ionization scattering in nanowires using Fermi’s golden rule and the tight binding basis to describe the wave functions. A method to calculate the dielectric screening in 1D systems within the tight binding basis is also described. Importantly, the scattering rates of nanowires tends to the bulk scattering rates at high energies, enabling the use of the same parameter set that were fitted to bulk experimental data to be used in the simulation of nanowire transport. A robust and efficient method to model interband tunneling is discussed in chapter 4 and its importance in nanowire transport is highlighted. In chapter 5, energy relaxation of excited electrons is studied for free standing nanowires and cladded nanowires. Finally, in chapter 6, a full band Monte Carlo particle based solver is created which treats confinement in a full quantum way and the current voltage characteristics as well as the subthreshold swing and percentage of ballistic transport is analyzed for an In0.7Ga0.3As junctionless nanowire field effect transistor.
ContributorsHathwar, Raghuraj (Author) / Goodnick, Stephen M (Committee member) / Saraniti, Marco (Committee member) / Vasileska, Dragica (Committee member) / Ferry, David K. (Committee member) / Arizona State University (Publisher)
Created2016
Description
4H-SiC has been widely used in many applications. All of these benefit from its extremely high critical electric field and good electron mobility. For example, 4H-SiC possesses a critical field ten times higher than that of Si, which allows high-voltage blocking layers composed of 4H-SiC to be approximately a tenth the thickness of a comparable Si device. This, in turn, reduces the device on-resistance and power losses while maintaining the same high blocking capability.
Unfortunately, commercial TCAD tools like Sentaurus and Silvaco Atlas are based on the effective mass approximation, while most 4H-SiC devices are not operated under low electric field, so the parabolic-like band approximation does not hold anymore. Hence, to get more accurate and reliable simulation results, full-band analysis is needed. The first step in the development of a full-band device simulator is the calculation of the band structure. In this work, the empirical pseudopotential method (EPM) is adopted. The next task in the sequence is the calculation of the scattering rates. Acoustic, non-polar optical phonon, polar optical phonon and Coulomb scattering are considered. Coulomb scattering is treated in real space using the particle-particle-particle-mesh (P3M) approach. The third task is coupling the bulk full-band solver with a 3D Poisson equation solver to generate a full-band device simulator.
For proof-of-concept of the methodology adopted here, a 3D resistor is simulated first. From the resistor simulations, the low-field electron mobility dependence upon Coulomb scattering in 4H-SiC devices is extracted. The simulated mobility results agree very well with available experimental data. Next, a 3D VDMOS is simulated. The nature of the physical processes occurring in both steady-state and transient conditions are revealed for the two generations of 3D VDMOS devices being considered in the study.
Due to its comprehensive nature, the developed tool serves as a basis for future investigation of 4H-SiC power devices.
Unfortunately, commercial TCAD tools like Sentaurus and Silvaco Atlas are based on the effective mass approximation, while most 4H-SiC devices are not operated under low electric field, so the parabolic-like band approximation does not hold anymore. Hence, to get more accurate and reliable simulation results, full-band analysis is needed. The first step in the development of a full-band device simulator is the calculation of the band structure. In this work, the empirical pseudopotential method (EPM) is adopted. The next task in the sequence is the calculation of the scattering rates. Acoustic, non-polar optical phonon, polar optical phonon and Coulomb scattering are considered. Coulomb scattering is treated in real space using the particle-particle-particle-mesh (P3M) approach. The third task is coupling the bulk full-band solver with a 3D Poisson equation solver to generate a full-band device simulator.
For proof-of-concept of the methodology adopted here, a 3D resistor is simulated first. From the resistor simulations, the low-field electron mobility dependence upon Coulomb scattering in 4H-SiC devices is extracted. The simulated mobility results agree very well with available experimental data. Next, a 3D VDMOS is simulated. The nature of the physical processes occurring in both steady-state and transient conditions are revealed for the two generations of 3D VDMOS devices being considered in the study.
Due to its comprehensive nature, the developed tool serves as a basis for future investigation of 4H-SiC power devices.
ContributorsCheng, Chi-Yin (Author) / Vasileska, Dragica (Thesis advisor) / Goodnick, Stephen M (Thesis advisor) / Ponce, Fernando (Committee member) / Zhao, Yuji (Committee member) / Arizona State University (Publisher)
Created2020
Description
This dissertation covers my doctoral research on the cathodoluminescence (CL) study of the optical properties of III-niride semiconductors.
The first part of this thesis focuses on the optical properties of Mg-doped gallium nitride (GaN:Mg) epitaxial films. GaN is an emerging material for power electronics, especially for high power and high frequency applications. Compared to traditional Si-based devices, GaN-based devices offer superior breakdown properties, faster switching speed, and reduced system size. Some of the current device designs involve lateral p-n junctions which require selective-area doping. Dopant distribution in the selectively-doped regions is a critical issue that can impact the device performance. While most studies on Mg doping in GaN have been reported for epitaxial grown on flat c-plane substrates, questions arise regarding the Mg doping efficiency and uniformity in selectively-doped regions, where growth on surfaces etched away from the exact c-plane orientation is involved. Characterization of doping concentration distribution in lateral structures using secondary ion mass spectroscopy lacks the required spatial resolution. In this work, visualization of acceptor distribution in GaN:Mg epilayers grown by metalorganic chemical vapor deposition (MOCVD) was achieved at sub-micron scale using CL imaging. This was enabled by establishing a correlation among the luminescence characteristics, acceptor concentration, and electrical conductivity of GaN:Mg epilayers. Non-uniformity in acceptor distribution has been observed in epilayers grown on mesa structures and on miscut substrates. It is shown that non-basal-plane surfaces, such as mesa sidewalls and surface step clusters, promotes lateral growth along the GaN basal planes with a reduced Mg doping efficiency. The influence of surface morphology on the Mg doping efficiency in GaN has been studied.
The second part of this thesis focuses on the optical properties of InGaN for photovoltaic applications. The effects of thermal annealing and low energy electron beam irradiation (LEEBI) on the optical properties of MOCVD-grown In0.14Ga0.86N films were studied. A multi-fold increase in luminescence intensity was observed after 800 °C thermal annealing or LEEBI treatment. The mechanism leading to the luminescence intensity increase has been discussed. This study shows procedures that significantly improve the luminescence efficiency of InGaN, which is important for InGaN-based optoelectronic devices.
The first part of this thesis focuses on the optical properties of Mg-doped gallium nitride (GaN:Mg) epitaxial films. GaN is an emerging material for power electronics, especially for high power and high frequency applications. Compared to traditional Si-based devices, GaN-based devices offer superior breakdown properties, faster switching speed, and reduced system size. Some of the current device designs involve lateral p-n junctions which require selective-area doping. Dopant distribution in the selectively-doped regions is a critical issue that can impact the device performance. While most studies on Mg doping in GaN have been reported for epitaxial grown on flat c-plane substrates, questions arise regarding the Mg doping efficiency and uniformity in selectively-doped regions, where growth on surfaces etched away from the exact c-plane orientation is involved. Characterization of doping concentration distribution in lateral structures using secondary ion mass spectroscopy lacks the required spatial resolution. In this work, visualization of acceptor distribution in GaN:Mg epilayers grown by metalorganic chemical vapor deposition (MOCVD) was achieved at sub-micron scale using CL imaging. This was enabled by establishing a correlation among the luminescence characteristics, acceptor concentration, and electrical conductivity of GaN:Mg epilayers. Non-uniformity in acceptor distribution has been observed in epilayers grown on mesa structures and on miscut substrates. It is shown that non-basal-plane surfaces, such as mesa sidewalls and surface step clusters, promotes lateral growth along the GaN basal planes with a reduced Mg doping efficiency. The influence of surface morphology on the Mg doping efficiency in GaN has been studied.
The second part of this thesis focuses on the optical properties of InGaN for photovoltaic applications. The effects of thermal annealing and low energy electron beam irradiation (LEEBI) on the optical properties of MOCVD-grown In0.14Ga0.86N films were studied. A multi-fold increase in luminescence intensity was observed after 800 °C thermal annealing or LEEBI treatment. The mechanism leading to the luminescence intensity increase has been discussed. This study shows procedures that significantly improve the luminescence efficiency of InGaN, which is important for InGaN-based optoelectronic devices.
ContributorsLiu, Hanxiao (Author) / Ponce, Fernando A. (Thesis advisor) / Zhao, Yuji (Committee member) / Newman, Nathan (Committee member) / Fischer, Alec M (Committee member) / Arizona State University (Publisher)
Created2020