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Title: Accommodating a hexagonal ζ- phase Mn2N film on a cubic MgO (001) substrate

Journal Article · · Applied Surface Science
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [2]; ORCiD logo [4]; ORCiD logo [3]; ORCiD logo [3]
  1. Ohio University, Athens, OH (United States); Ohio University
  2. Universidad Autónoma de Puebla (Mexico)
  3. Ohio University, Athens, OH (United States)
  4. Universidad Nacional Autónoma de México (Mexico)
+ Show Author Affiliations

The thin films of c-plane dominated hexagonal ζ-phase Mn2N were successfully grown on a cubic MgO (001) substrate directly using plasma-assisted molecular beam epitaxy. The surface was comprehensively studied through experimental and theoretical approaches. Reflection high energy electron diffraction revealed two pseudo-cubic domains along [100]MgO and [110]MgO, and one hexagonal domain, which is 30° apart from the [100]MgO direction. Scanning tunneling microscopy was used to image and resolve the high-quality surface, revealing a distorted hexagonal surface structure. Furthermore, atomic resolution of the hexagonal domain with a 2 × 2 reconstructed surface is presented. For the c-plane surface, theoretical investigations were carried out using first-principles studies to determine the surface formation energy for various reconstructed surfaces. The theoretical study shows that the nitrogen terminated 2 × 2 structure with a manganese adatom on the surface is the most stable reconstruction that reproduces the experimental results. A corresponding simulated scanning tunneling microscopy model is also presented, providing strong support for the experimentally observed in-plane lattice structures. Furthermore, the manganese: nitrogen stoichiometry within the bulk and surface is in good agreement with the expected ratio of 2:1.

Research Organization:
Ohio University, Athens, OH (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)
Grant/Contract Number:
FG02-06ER46317; SC0001304
OSTI ID:
2361103
Alternate ID(s):
OSTI ID: 2350726
Journal Information:
Applied Surface Science, Journal Name: Applied Surface Science Vol. 664; ISSN 0169-4332
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ζ- phase Mn2N
Scanning tunneling microscope
Surface reconstruction
Density functional theory