Matching Items (8)
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- All Subjects: Monte Carlo method
- All Subjects: Nuclear physics and radiation
- All Subjects: Nuclear spin
- Creators: Schmidt, Kevin E
Description
One dimensional (1D) and quasi-one dimensional quantum wires have been a subject of both theoretical and experimental interest since 1990s and before. Phenomena such as the "0.7 structure" in the conductance leave many open questions. In this dissertation, I study the properties and the internal electron states of semiconductor quantum wires with the path integral Monte Carlo (PIMC) method. PIMC is a tool for simulating many-body quantum systems at finite temperature. Its ability to calculate thermodynamic properties and various correlation functions makes it an ideal tool in bridging experiments with theories. A general study of the features interpreted by the Luttinger liquid theory and observed in experiments is first presented, showing the need for new PIMC calculations in this field. I calculate the DC conductance at finite temperature for both noninteracting and interacting electrons. The quantized conductance is identified in PIMC simulations without making the same approximation in the Luttinger model. The low electron density regime is subject to strong interactions, since the kinetic energy decreases faster than the Coulomb interaction at low density. An electron state called the Wigner crystal has been proposed in this regime for quasi-1D wires. By using PIMC, I observe the zig-zag structure of the Wigner crystal. The quantum fluctuations suppress the long range correla- tions, making the order short-ranged. Spin correlations are calculated and used to evaluate the spin coupling strength in a zig-zag state. I also find that as the density increases, electrons undergo a structural phase transition to a dimer state, in which two electrons of opposite spins are coupled across the two rows of the zig-zag. A phase diagram is sketched for a range of densities and transverse confinements. The quantum point contact (QPC) is a typical realization of quantum wires. I study the QPC by explicitly simulating a system of electrons in and around a Timp potential (Timp, 1992). Localization of a single electron in the middle of the channel is observed at 5 K, as the split gate voltage increases. The DC conductance is calculated, which shows the effect of the Coulomb interaction. At 1 K and low electron density, a state similar to the Wigner crystal is found inside the channel.
ContributorsLiu, Jianheng, 1982- (Author) / Shumway, John B (Thesis advisor) / Schmidt, Kevin E (Committee member) / Chen, Tingyong (Committee member) / Yu, Hongbin (Committee member) / Ros, Robert (Committee member) / Arizona State University (Publisher)
Created2012
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
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
A theoretical study of a three-dimensional (3D) N/S interface with arbitrary spin
polarization and interface geometry is presented. The 3D model gives the same intrinsic
spin polarization and superconducting gap dependence as the 1D model. This
demonstrates that the 1D model can be use to t 3D data.
Using this model, a Heusler alloy is investigated. Andreev reflection measurements
show that the spin polarization is 80% in samples sputtered on unheated MgO(100)
substrates and annealed at high temperatures. However, the spin polarization is
considerably smaller in samples deposited on heated substrates.
Ferromagnetic FexSix alloys have been proposed as potential spin injectors into
silicon with a substantial spin polarization. Andreev Reflection Spectroscopy (ARS) is
utilized to determine the spin polarization of both amorphous and crystalline Fe65Si35
alloys. The amorphous phase has a significantly higher spin polarization than that of
the crystalline phase.
In this thesis, (1111) Fe SmO0:82F0:18FeAs and Pb superconductors are used to
measure the spin polarization of a highly spin-polarized material, La0:67Sr0:33MnO3.
Both materials yield the same intrinsic spin polarization, therefore, Fe-superconductors
can be used in ARS. Based on the behavior of the differential conductance for highly
spin polarized LSMO and small polarization of Au, it can be concluded that the Fe-Sc
is not a triplet superconductor.
Zero bias anomaly (ZBA), in point contact Andreev reflection (PCAR), has been
utilized as a characteristic feature to reveal many novel physics. Complexities at a
normal metal/superconducting interface often cause nonessential ZBA-like features,
which may be mistaken as ZBA. In this work, it is shown that an extrinsic ZBA,
which is due to the contact resistance, cannot be suppressed by a highly spin-polarized
current while a nonessential ZBA cannot be affected the contact resistance.
Finally, Cu/Cu multilayer GMR structures were fabricated and the GMR% measured
at 300 K and 4.5 K gave responses of 63% and 115% respectively. Not only
do the GMR structures have a large enhancement of resistance, but by applying an
external magnetic eld it is shown that, unlike most materials, the spin polarization
can be tuned to values of 0.386 to 0.415 from H = 0 kOe to H = 15 kOe.
polarization and interface geometry is presented. The 3D model gives the same intrinsic
spin polarization and superconducting gap dependence as the 1D model. This
demonstrates that the 1D model can be use to t 3D data.
Using this model, a Heusler alloy is investigated. Andreev reflection measurements
show that the spin polarization is 80% in samples sputtered on unheated MgO(100)
substrates and annealed at high temperatures. However, the spin polarization is
considerably smaller in samples deposited on heated substrates.
Ferromagnetic FexSix alloys have been proposed as potential spin injectors into
silicon with a substantial spin polarization. Andreev Reflection Spectroscopy (ARS) is
utilized to determine the spin polarization of both amorphous and crystalline Fe65Si35
alloys. The amorphous phase has a significantly higher spin polarization than that of
the crystalline phase.
In this thesis, (1111) Fe SmO0:82F0:18FeAs and Pb superconductors are used to
measure the spin polarization of a highly spin-polarized material, La0:67Sr0:33MnO3.
Both materials yield the same intrinsic spin polarization, therefore, Fe-superconductors
can be used in ARS. Based on the behavior of the differential conductance for highly
spin polarized LSMO and small polarization of Au, it can be concluded that the Fe-Sc
is not a triplet superconductor.
Zero bias anomaly (ZBA), in point contact Andreev reflection (PCAR), has been
utilized as a characteristic feature to reveal many novel physics. Complexities at a
normal metal/superconducting interface often cause nonessential ZBA-like features,
which may be mistaken as ZBA. In this work, it is shown that an extrinsic ZBA,
which is due to the contact resistance, cannot be suppressed by a highly spin-polarized
current while a nonessential ZBA cannot be affected the contact resistance.
Finally, Cu/Cu multilayer GMR structures were fabricated and the GMR% measured
at 300 K and 4.5 K gave responses of 63% and 115% respectively. Not only
do the GMR structures have a large enhancement of resistance, but by applying an
external magnetic eld it is shown that, unlike most materials, the spin polarization
can be tuned to values of 0.386 to 0.415 from H = 0 kOe to H = 15 kOe.
ContributorsGifford, Jessica Anna (Author) / Chen, Tingyong (Thesis advisor) / Bennett, Peter (Committee member) / Nemanich, Robert (Committee member) / Tsen, Kong-Thon (Committee member) / Arizona State University (Publisher)
Created2015
Description
In this dissertation two kinds of strongly interacting fermionic systems were studied: cold atomic gases and nucleon systems. In the first part I report T=0 diffusion Monte Carlo results for the ground-state and vortex excitation of unpolarized spin-1/2 fermions in a two-dimensional disk. I investigate how vortex core structure properties behave over the BEC-BCS crossover. The vortex excitation energy, density profiles, and vortex core properties related to the current are calculated. A density suppression at the vortex core on the BCS side of the crossover and a depleted core on the BEC limit is found. Size-effect dependencies in the disk geometry were carefully studied. In the second part of this dissertation I turn my attention to a very interesting problem in nuclear physics. In most simulations of nonrelativistic nuclear systems, the wave functions are found by solving the many-body Schrödinger equations, and they describe the quantum-mechanical amplitudes of the nucleonic degrees of freedom. In those simulations the pionic contributions are encoded in nuclear potentials and electroweak currents, and they determine the low-momentum behavior. By contrast, in this work I present a novel quantum Monte Carlo formalism in which both relativistic pions and nonrelativistic nucleons are explicitly included in the quantum-mechanical states of the system. I report the renormalization of the nucleon mass as a function of the momentum cutoff, an Euclidean time density correlation function that deals with the short-time nucleon diffusion, and the pion cloud density and momentum distributions. In the two nucleon sector the interaction of two static nucleons at large distances reduces to the one-pion exchange potential, and I fit the low-energy constants of the contact interactions to reproduce the binding energy of the deuteron and two neutrons in finite volumes. I conclude by showing that the method can be readily applied to light-nuclei.
ContributorsMadeira, Lucas (Author) / Schmidt, Kevin E (Thesis advisor) / Alarcon, Ricardo (Committee member) / Beckstein, Oliver (Committee member) / Erten, Onur (Committee member) / Arizona State University (Publisher)
Created2018
Description
This work presents analysis and results for the NPDGamma experiment, measuring
the spin-correlated photon directional asymmetry in the $\vec{n}p\rightarrow
d\gamma$ radiative capture of polarized, cold neutrons on a parahydrogen
target. The parity-violating (PV) component of this asymmetry
$A_{\gamma,PV}$ is unambiguously related to the $\Delta I = 1$ component of
the hadronic weak interaction due to pion exchange. Measurements in the second
phase of NPDGamma were taken at the Oak Ridge National Laboratory (ORNL)
Spallation Neutron Source (SNS) from late 2012 to early 2014, and then again in
the first half of 2016 for an unprecedented level of statistics in order to
obtain a measurement that is precise with respect to theoretical predictions of
$A_{\gamma,PV}=O(10^{-8})$. Theoretical and experimental background,
description of the experimental apparatus, analysis methods, and results for
the high-statistics measurements are given.
the spin-correlated photon directional asymmetry in the $\vec{n}p\rightarrow
d\gamma$ radiative capture of polarized, cold neutrons on a parahydrogen
target. The parity-violating (PV) component of this asymmetry
$A_{\gamma,PV}$ is unambiguously related to the $\Delta I = 1$ component of
the hadronic weak interaction due to pion exchange. Measurements in the second
phase of NPDGamma were taken at the Oak Ridge National Laboratory (ORNL)
Spallation Neutron Source (SNS) from late 2012 to early 2014, and then again in
the first half of 2016 for an unprecedented level of statistics in order to
obtain a measurement that is precise with respect to theoretical predictions of
$A_{\gamma,PV}=O(10^{-8})$. Theoretical and experimental background,
description of the experimental apparatus, analysis methods, and results for
the high-statistics measurements are given.
ContributorsBlyth, David (Author) / Alarcon, Ricardo O (Thesis advisor) / Ritchie, Barry G. (Committee member) / Comfort, Joseph R. (Committee member) / Schmidt, Kevin E (Committee member) / Arizona State University (Publisher)
Created2017
Description
Quantum Monte Carlo is one of the most accurate ab initio methods used to study nuclear physics. The accuracy and efficiency depend heavily on the trial wave function, especially in Auxiliary Field Diffusion Monte Carlo (AFDMC), where a simplified wave function is often used to allow calculations of larger systems. The simple wave functions used with AFDMC contain short range correlations that come from an expansion of the full correlations truncated to linear order. I have extended that expansion to quadratic order in the pair correlations. I have investigated this expansion by keeping the full set of quadratic correlations as well an expansion that keeps only independent pair quadratic correlations. To test these new wave functions I have calculated ground state energies of 4He, 16O, 40Ca and symmetric nuclear matter at saturation density ρ = 0.16 fm−3 with 28 particles in a periodic box. The ground state energies calculated with both wave functions decrease with respect to the simpler wave function with linear correlations only for all systems except 4He for both variational and AFDMC calculations. It was not expected that the ground state energy of 4He would decrease due to the simplicity of the alpha particle wave function. These correlations have also been applied to study alpha particle formation in neutron rich matter, with applications to neutron star crusts and neutron rich nuclei. I have been able to show that this method can be used to study small clusters as well as the effect of external nucleons on these clusters.
ContributorsPetrie, Cody L (Author) / Schmidt, Kevin E (Thesis advisor) / Shovkovy, Igor A. (Committee member) / Beckstein, Oliver (Committee member) / Alarcon, Ricardo O (Committee member) / Arizona State University (Publisher)
Created2019
Description
I describe the first continuous space nuclear path integral quantum Monte Carlo method, and calculate the ground state properties of light nuclei including Deuteron, Triton, Helium-3 and Helium-4, using both local chiral interaction up to next-to-next-to-leading-order and the Argonne $v_6'$ interaction. Compared with diffusion based quantum Monte Carlo methods such as Green's function Monte Carlo and auxiliary field diffusion Monte Carlo, path integral quantum Monte Carlo has the advantage that it can directly calculate the expectation value of operators without tradeoff, whether they commute with the Hamiltonian or not. For operators that commute with the Hamiltonian, e.g., the Hamiltonian itself, the path integral quantum Monte Carlo light-nuclei results agree with Green's function Monte Carlo and auxiliary field diffusion Monte Carlo results. For other operator expectations which are important to understand nuclear measurements but do not commute with the Hamiltonian and therefore cannot be accurately calculated by diffusion based quantum Monte Carlo methods without tradeoff, the path integral quantum Monte Carlo method gives reliable results. I show root-mean-square radii, one-particle number density distributions, and Euclidean response functions for single-nucleon couplings. I also systematically describe all the sampling algorithms used in this work, the strategies to make the computation efficient, the error estimations, and the details of the implementation of the code to perform calculations. This work can serve as a benchmark test for future calculations of larger nuclei or finite temperature nuclear matter using path integral quantum Monte Carlo.
ContributorsChen, Rong (Author) / Schmidt, Kevin E (Thesis advisor) / Alarcon, Ricardo O (Committee member) / Beckstein, Oliver (Committee member) / Comfort, Joseph R. (Committee member) / Shovkovy, Igor A. (Committee member) / Arizona State University (Publisher)
Created2020