Next Article in Journal
The Effect of Internal Free Surfaces on Void Swelling of Irradiated Pure Iron Containing Subsurface Trenches
Previous Article in Journal
Nematic and Cholesteric Liquid Crystal Structures in Cells with Tangential-Conical Boundary Conditions
Previous Article in Special Issue
Effect of Pressure on the Superconducting Properties of Tl2Ba2Ca2Cu3O9-δ
Article Menu

Export Article

Open AccessArticle

Magnetic Properties of Quasi-One-Dimensional Crystals Formed by Graphene Nanoclusters and Embedded Atoms of the Transition Metals

1
V.N. Karazin Kharkiv National University, Svoboda Sq.4, 61022 Kharkiv, Ukraine
2
B.Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, 61103 Kharkiv, Ukraine
3
Chair of Solid State and Quantum Chemistry, RWTH Aachen University, 52056 Aachen, Germany
4
A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of RAS, 199071 Moscow, Russia
5
Independent University of Moscow, 119002 Moscow, Russia
6
Jülich–Aachen Research Alliance, JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
*
Author to whom correspondence should be addressed.
Crystals 2019, 9(5), 251; https://doi.org/10.3390/cryst9050251
Received: 31 March 2019 / Revised: 1 May 2019 / Accepted: 8 May 2019 / Published: 15 May 2019
(This article belongs to the Special Issue Quantum and Molecular Mechanic Analysis of Crystalline Materials)
  |  
PDF [3085 KB, uploaded 15 May 2019]
  |  

Abstract

Using the density-matrix renormalization group method and quantum Monte Carlo simulation, we studied numerically the energy spectrum and thermodynamics of the quantum Heisenberg spin model for narrow graphene nanoribbons and their derivatives with periodically embedded heteroatoms. For several nanoribbon structures we found macroscopic ground state spin, gapless lowest excitation spectra and intermediate magnetization plateaus at low temperatures. We also studied the lowest energy states of frustrated systems formed by triangular graphitic clusters connected by bridged ions of transition metals. On the base of many-body perturbation theory and the exact diagonalization method, we showed the possibility of spin switching for this model due to the change the corresponding coupling parameters. View Full-Text
Keywords: graphene clusters; intermediate magnetization plateau; spin switching graphene clusters; intermediate magnetization plateau; spin switching
Figures

Graphical abstract

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Cheranovskii, V.O.; Slavin, V.V.; Ezerskaya, E.V.; Tchougréeff, A.L.; Dronskowski, R. Magnetic Properties of Quasi-One-Dimensional Crystals Formed by Graphene Nanoclusters and Embedded Atoms of the Transition Metals. Crystals 2019, 9, 251.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Crystals EISSN 2073-4352 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top