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Title: Crystal truncation rods from miscut surfaces

Abstract

Crystal truncation rods are used to study surface and interface structure. Since real surfaces are always somewhat miscut from a low index plane, it is important to study the effect of miscuts on crystal truncation rods. We develop a model that describes the truncation rod scattering from miscut surfaces that have steps and terraces. We show that nonuniform terrace widths and jagged step edges are both forms of roughness that decrease the intensity of the rods. Nonuniform terrace widths also result in a broad peak that overlaps the rods. We use our model to characterize the terrace width distribution and step edge jaggedness on three SrTiO 3 (001) samples, showing excellent agreement between the model and the data, confirmed by atomic force micrographs of the surface morphology. As a result, we expect our description of terrace roughness will apply to many surfaces, even those without obvious terracing.

Authors:
 [1];  [2];  [2];  [1]
  1. Stanford Univ., Palo Alto, CA (United States); The Stanford Institute for Materials and Energy Sciences (SIMES), SLAC National Accelerator Lab., and Stanford Univ., Menlo Park, CA (United States)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1368755
Alternate Identifier(s):
OSTI ID: 1355956
Grant/Contract Number:
AC02-76SF00515; ECCS-1542152
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Petach, Trevor A., Mehta, Apurva, Toney, Michael F., and Goldhaber-Gordon, David. Crystal truncation rods from miscut surfaces. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.184104.
Petach, Trevor A., Mehta, Apurva, Toney, Michael F., & Goldhaber-Gordon, David. Crystal truncation rods from miscut surfaces. United States. doi:10.1103/PhysRevB.95.184104.
Petach, Trevor A., Mehta, Apurva, Toney, Michael F., and Goldhaber-Gordon, David. Mon . "Crystal truncation rods from miscut surfaces". United States. doi:10.1103/PhysRevB.95.184104. https://www.osti.gov/servlets/purl/1368755.
@article{osti_1368755,
title = {Crystal truncation rods from miscut surfaces},
author = {Petach, Trevor A. and Mehta, Apurva and Toney, Michael F. and Goldhaber-Gordon, David},
abstractNote = {Crystal truncation rods are used to study surface and interface structure. Since real surfaces are always somewhat miscut from a low index plane, it is important to study the effect of miscuts on crystal truncation rods. We develop a model that describes the truncation rod scattering from miscut surfaces that have steps and terraces. We show that nonuniform terrace widths and jagged step edges are both forms of roughness that decrease the intensity of the rods. Nonuniform terrace widths also result in a broad peak that overlaps the rods. We use our model to characterize the terrace width distribution and step edge jaggedness on three SrTiO3 (001) samples, showing excellent agreement between the model and the data, confirmed by atomic force micrographs of the surface morphology. As a result, we expect our description of terrace roughness will apply to many surfaces, even those without obvious terracing.},
doi = {10.1103/PhysRevB.95.184104},
journal = {Physical Review B},
number = 18,
volume = 95,
place = {United States},
year = {Mon May 08 00:00:00 EDT 2017},
month = {Mon May 08 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
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  • Crystal truncation rods calculated in the kinematical approximation are shown to quantitatively agree with the sum of the diffracted waves obtained in the two-beam dynamical calculations for different reflections along the rod. The choice and the number of these reflections are specified. The agreement extends down to at least {approx}10{sup -7} of the peak intensity. For lower intensities, the accuracy of dynamical calculations is limited by truncation of the electron density at a mathematically planar surface, arising from the Fourier series expansion of the crystal polarizability.
  • Ptychography is a high-resolution imaging technique which does not require lenses for image magnification and which provides phase contrast with high sensitivity. Here we propose to use x-ray ptychography for the imaging of surface structure in crystalline samples. We show that ptychography can be used to image atomic structures using coherent diffraction patterns recorded along the crystal truncation rod of a crystal surface. In a proof-of-concept experiment on a Pt(111) sample, we present ptychographic reconstructions showing features consistent with surface steps. Due to the penetration power of x-rays, this method could find interesting applications for the study of surface structuresmore » under buried interfaces or in harsh environments.« less
  • Ptychography is a high-resolution imaging technique, which does not require lenses for image magnification and which provides phase contrast with high sensitivity. Here, we propose to use x-ray ptychography for the imaging of surface structure in crystalline samples. We show that ptychography can be used to image atomic step structures using coherent diffraction patterns recorded along the crystal truncation rod of a crystal surface. In a proof-of-concept experiment on a Pt (111) sample, we present ptychographic reconstructions showing features consistent with surface steps. Due to the penetration power of x-rays, this method could find interesting applications for the study ofmore » surface structures under buried interfaces or in harsh environments.« less