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Title: A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

Abstract

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al.[Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systemsmore » (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quan-tum yield, emittance, and emission models needed by beam optics codes are discussed. Published by AIP Publishing. https://doi.org/10.1063/1.5008600« less

Authors:
ORCiD logo [1];  [2];  [1];  [1]; ORCiD logo [3];  [4];  [3]; ORCiD logo [3]
  1. Naval Research Lab. (NRL), Washington, DC (United States)
  2. United States Naval Academy, Annapolis, MD (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. Leidos, Billerica, MA (United States)
Publication Date:
Research Org.:
Gnosys Systems,Inc., Providence, RI (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1436563
Alternate Identifier(s):
OSTI ID: 1418721
Grant/Contract Number:  
SC0013246; AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 123; Journal Issue: 4; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Jensen, Kevin L., Finkenstadt, Daniel, Shabaev, Andrew, Lambrakos, Samuel G., Moody, Nathan A., Petillo, John J., Yamaguchi, Hisato, and Liu, Fangze. A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory. United States: N. p., 2018. Web. doi:10.1063/1.5008600.
Jensen, Kevin L., Finkenstadt, Daniel, Shabaev, Andrew, Lambrakos, Samuel G., Moody, Nathan A., Petillo, John J., Yamaguchi, Hisato, & Liu, Fangze. A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory. United States. doi:10.1063/1.5008600.
Jensen, Kevin L., Finkenstadt, Daniel, Shabaev, Andrew, Lambrakos, Samuel G., Moody, Nathan A., Petillo, John J., Yamaguchi, Hisato, and Liu, Fangze. Sun . "A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory". United States. doi:10.1063/1.5008600. https://www.osti.gov/servlets/purl/1436563.
@article{osti_1436563,
title = {A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory},
author = {Jensen, Kevin L. and Finkenstadt, Daniel and Shabaev, Andrew and Lambrakos, Samuel G. and Moody, Nathan A. and Petillo, John J. and Yamaguchi, Hisato and Liu, Fangze},
abstractNote = {Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al.[Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quan-tum yield, emittance, and emission models needed by beam optics codes are discussed. Published by AIP Publishing. https://doi.org/10.1063/1.5008600},
doi = {10.1063/1.5008600},
journal = {Journal of Applied Physics},
number = 4,
volume = 123,
place = {United States},
year = {2018},
month = {1}
}

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