Juhani Keinonen

Bio: Juhani Keinonen is an academic researcher from University of Helsinki. The author has contributed to research in topics: Thin film & Ion implantation. The author has an hindex of 48, co-authored 293 publications receiving 10073 citations.

Spin-half paramagnetism in graphene induced by point defects

Abstract: T he possibility to induce a magnetic response in graphene by the introduction of defects has been generating much interest, as this would expand the already impressive list of its special properties and allow novel devices where charge and spin manipulation could be combined. So far there have been many theoretical studies (for reviews, see refs 1‐3) predicting that point defects in graphene should carry magnetic moments B and these can in principle couple (anti)ferromagnetically 1‐12 . However, experimental evidence for such magnetism remains both scarce and controversial 13‐16 . Here we show that point defects in graphene—(1) fluorine adatoms in concentrations x gradually increasing to stoichiometric fluorographene CFxD1:0 (ref. 17) and (2) irradiation defects (vacancies)—carry magnetic moments with spin 1=2. Both types of defect lead to notable paramagnetism but no magnetic ordering could be detected down to liquid helium temperatures. The induced paramagnetism dominates graphene’s low-temperature magnetic properties, despite the fact that the maximum response we could achieve was limited to one moment per approximately 1,000 carbon atoms. This limitation is explained by clustering of adatoms and, for the case of vacancies, by the loss of graphene’s structural stability. Our work clarifies the controversial issue of graphene’s magnetism and sets limits for other graphitic compounds. The emerging consensus that magnetism in carbon-based systems can exist is based mostly on a large body of work on magnetic measurements of highly-oriented pyrolytic graphite (HOPG) and carbon films, with many reports of weak ferromagnetic signals at room temperature (T) observed in both pristine HOPG and after itsionirradiation(see,forexample,refs18,19).However,thewhole subject remains controversial, especially concerning (1) the role of possible contamination and (2) the mechanism responsible for the strong interaction required to lead to ferromagnetic ordering at room temperature. Some observations of ferromagnetism are probably artefacts, doing little justice to the subject (one frequent artefact is identified and described in the Supplementary Information, where we show that commonly used HOPG crystals contain micrometre-sized magnetic particles). Adatom magnetism in graphite is also contentious and, for example, different studies of fluorinatedgraphitehavereportedinconsistentresults 20,21 .

Atomic Layer Deposition of Oxide Thin Films with Metal Alkoxides as Oxygen Sources

Abstract: A chemical approach to atomic layer deposition (ALD) of oxide thin films is reported here. Instead of using water or other compounds for an oxygen source, oxygen is obtained from a metal alkoxide, which serves as both an oxygen and a metal source when it reacts with another metal compound such as a metal chloride or a metal alkyl. These reactions generally enable deposition of oxides of many metals. With this approach, an alumina film has been deposited on silicon without creating an interfacial silicon oxide layer that otherwise forms easily. This finding adds to the other benefits of the ALD method, especially the atomic-level thickness control and excellent uniformity, and takes a major step toward the scientifically challenging and technologically important task of replacing silica as the gate dielectric in the future generations of metal oxide semiconductor field effect transistors.

Atomic Layer Deposition of Platinum Thin Films

Abstract: Platinum thin films were grown at 300 °C by atomic layer deposition (ALD) using (methylcyclopentadienyl)trimethylplatinum (MeCpPtMe3) and oxygen as precursors. The films had excellent uniformity, low resistivity, and low-impurity contents. Structural studies by X-ray diffraction showed that the films were strongly (111) oriented. Growth rates of 0.45 A cycle-1 were obtained with 4 s total cycle times. The film thickness was found to linearly depend on the number of the reaction cycles. Also, the possible reaction mechanism is discussed.

Effects of ion bombardment on a two-dimensional target: Atomistic simulations of graphene irradiation

Abstract: Using atomistic computer simulations based on analytical potential and density-functional theory models, we study effects of ion irradiation on graphene. We identify the types and concentrations of defects which appear in graphene under impacts of various ions with energies ranging from tens of electron volts to mega-electron volts. For two-dimensional targets, defects beyond single and double vacancies are formed via in-plane recoils. We demonstrate that the conventional approach based on binary-collision approximation and stochastic algorithms developed for bulk solids cannot be applied to graphene and other low-dimensional systems. Finally, taking into account the gas-holding capacity of graphene, we suggest the use of graphene as the ultimate membrane for ion-beam analysis of gases and other volatile systems which cannot be put in the high vacuum required for the operation of ion beams.

Formation of ion-irradiation-induced atomic-scale defects on walls of carbon nanotubes

Abstract: Recent experiments on irradiated carbon nanotubes provide evidence that ion bombardment gives rise to nanotube amorphization and dramatic dimensional changes. Using an empirical potential along with molecular dynamics, we study structure and formation probabilities of atomic-scale defects produced by low-dose irradiation of nanotubes with Ar ions. For this, we simulate impact events over a wide energy range of incident ions. We show that the maximum damage production occurs for a bombarding ion energy of about 600 eV, and that the most common defects produced at all energies are vacancies, which at low temperatures are metastable but long-lived defects. Employing the tight-binding Green's function technique, we also calculate scanning tunneling microscopy (STM) images of irradiated nanotubes. We demonstrate that irradiation-induced defects may be detected by STM and that isolated vacancies may look like bright spots in atomically resolved STM images of irradiated nanotubes.

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals

Abstract: We report the experimental discovery of intrinsic ferromagnetism in Cr 2 Ge 2 Te 6 atomic layers by scanning magneto-optic Kerr microscopy. In this 2D van der Waals ferromagnet, unprecedented control of transition temperature is realized via small magnetic fields.

Structural defects in graphene

Abstract: Graphene is one of the most promising materials in nanotechnology. The electronic and mechanical properties of graphene samples with high perfection of the atomic lattice are outstanding, but structural defects, which may appear during growth or processing, deteriorate the performance of graphene-based devices. However, deviations from perfection can be useful in some applications, as they make it possible to tailor the local properties of graphene and to achieve new functionalities. In this article, the present knowledge about point and line defects in graphene are reviewed. Particular emphasis is put on the unique ability of graphene to reconstruct its lattice around intrinsic defects, leading to interesting effects and potential applications. Extrinsic defects such as foreign atoms which are of equally high importance for designing graphene-based devices with dedicated properties are also discussed.

Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems

Abstract: We present the science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems, targeting an evolution in technology, that might lead to impacts and benefits reaching into most areas of society. This roadmap was developed within the framework of the European Graphene Flagship and outlines the main targets and research areas as best understood at the start of this ambitious project. We provide an overview of the key aspects of graphene and related materials (GRMs), ranging from fundamental research challenges to a variety of applications in a large number of sectors, highlighting the steps necessary to take GRMs from a state of raw potential to a point where they might revolutionize multiple industries. We also define an extensive list of acronyms in an effort to standardize the nomenclature in this emerging field.