NachhaltigF: Angewandte Naturwissenschaften und WirtschaftsingenieurwesenS: TC Teisnach Sensorik
M. König, Günther Ruhl, A. Gahoi, S. Wittman, T. Preis, J.-M. Batke, I. Costina, M. Lemme
Accurate Graphene-Metal Junction Characterization
IEEE Journal of the Electron Devices Society (J-EDS), vol. 7, pp. 219-226
A reliable method is proposed for measuring specific contact resistivity (p C ) for graphenemetal contacts, which is based on a contact end resistance measurement. We investigate the proposed method with simulations and confirm that the sheet resistance under the metal contact (R SK ) plays an important role, as it influences the potential barrier at the graphene-metal junction. Two different complementary metal-oxide-semiconductor-compatible aluminum-based contacts are investigated to demonstrate the importance of the sheet resistance under the metal contact: the difference in R SK arises from the formation of insulating aluminum oxide (Al 2 O 3 ) and aluminum carbide (Al 4 C 3 ) interfacial layers, which depends on the graphene pretreatment and process conditions. Auger electron spectroscopy and X-ray photoelectron spectroscopy support electrical data. The method allows direct measurements of contact parameters with one contact pair and enables small test structures. It is further more reliable than the conventional transfer length method when the sheet resistance of the material under the contact is large. The proposed method is thus ideal for geometrically small contacts where it minimizes measurement errors and it can be applied in particular to study emerging devices and materials.
NachhaltigF: Angewandte Naturwissenschaften und Wirtschaftsingenieurwesen
Thomas Stirner, Ali Hamid, J. Sun, H. Zhang, A. Jadon
Molecular dynamics simulations of helium clustering and bubble growth under tungsten surfaces
Computational Materials Science, vol. 163, no. June, pp. 141-147
We study the surface response of W to helium bombardment using molecular dynamics simulations. Simulations have been performed for incident helium of energy 80 eV and surface temperature 2100 K. The saturation of He retention has been observed to be high, a result of the bubbles trapping helium atoms and preventing them from diffusing to the surface and further back into the plasma. On the other hand, we have observe near-surface “cluster rupture” leading to the expulsion of helium atoms towards the vacuum. We have found that bubbles typically grow in a relatively narrow band of He/V ratios (1–3). Besides, it was observed that tungsten atoms migrated from the top surface into the bulk. The coalescence of helium bubbles has also been observed.
NachhaltigF: Angewandte Naturwissenschaften und Wirtschaftsingenieurwesen
David Scholz, Thomas Stirner
Convergence of surface energy calculations for various methods: (0 0 1) hematite as benchmark
Journal of Physics: Condensed Matter, vol. 31, no. 19
Different methods for calculating the surface energy from ab initio simulations are applied to the relaxed (0 0 1) surface of the metal oxide hematite (α-Fe2O3). The simulations are carried out with a rather moderate k-point grid with shrinking factors of (6 6 6) for all bulk and (6 6) for all slab simulations. Very good convergence is obtained if a linear fit of the slab energies with respect to the number of layers in the slab is performed. In comparison to the other methods employed, this procedure is ultimately the most accurate and reliable method for extracting convergent surface energies from (0 0 1) hematite slabs. Additionally, we propose a way to determine the least possible starting point for calculating the surface energy by the linear-fit method. Furthermore, we find the Boettger method to perform nearly equally well, if the bulk energy is extracted from the energy difference per layer between the slabs with 12 and 18 layers thickness. Both methods give a surface energy of 2.43 J m-2 with a deviation of less than ±0.005 J m-2. The standard approach, which uses a separate bulk simulation, instead shows a significant linear divergence with increasing number of layers in the slab. We also carried out bulk simulations with a surface-oriented bulk unit cell, but found it in our case not to improve the convergence of the standard approach.
NachhaltigF: Elektrotechnik und MedientechnikF: Maschinenbau und MechatronikI: IQMA
L. Jiang, Jonas Weber, F. Puglisi, P. Pavan, L. Larcher, Werner Frammelsberger, Günther Benstetter, M. Lanza
Understanding Current Instabilities in Conductive Atomic Force Microscopy
Materials, vol. 12, no. 3
Conductive atomic force microscopy (CAFM) is one of the most powerful techniques in studying the electrical properties of various materials at the nanoscale. However, understanding current fluctuations within one study (due to degradation of the probe tips) and from one study to another (due to the use of probe tips with different characteristics), are still two major problems that may drive CAFM researchers to extract wrong conclusions. In this manuscript, these two issues are statistically analyzed by collecting experimental CAFM data and processing them using two different computational models. Our study indicates that: (i) before their complete degradation, CAFM tips show a stable state with degraded conductance, which is difficult to detect and it requires CAFM tip conductivity characterization before and after the CAFM experiments; and (ii) CAFM tips with low spring constants may unavoidably lead to the presence of a ~1.2 nm thick water film at the tip/sample junction, even if the maximum contact force allowed by the setup is applied. These two phenomena can easily drive CAFM users to overestimate the properties of the samples under test (e.g., oxide thickness). Our study can help researchers to better understand the current shifts that were observed during their CAFM experiments, as well as which probe tip to use and how it degrades. Ultimately, this work may contribute to enhancing the reliability of CAFM investigations.
NachhaltigF: Elektrotechnik und MedientechnikI: IQMA
L. Liu, S. Li, D. Liu, Günther Benstetter, O. Man, J. Michalicka, Y. Zhang, Y. Hong, H. Fan, W. Ni, Q. Yang, Y. Wu, Z. Bi
The effect of O2 impurity on surface morphology of polycrystalline W during low-energy and high-flux He+ irradiation
Fusion Engineering and Design, vol. 139, pp. 96-103
The interaction between the impurities (such as carbon, nitrogen, oxygen) and the plasma-facing materials (PFMs) can profoundly influence the performance and service of the PFMs. In this paper, we investigated the influence of oxygen (O2) impurity in the helium radio frequency (RF) plasma on the surface morphology of polycrystalline tungsten (W) irradiated at the surface temperature of 1450 ± 50 K and the ion energy of 100 eV. The pressure ratio of O2 to He (R) in RF source varied from 4.0 × 10−6 to 9.0 × 10-2. The total irradiation flux and fluence were ˜1.2 × 1022 ions·m-2·s-1 and ˜1.0 × 1026 ions·m-2, respectively. After He+ irradiation, the specimen surface morphology was observed by scanning electron microscopy. It was found that with increasing R from 4.0 × 10−6 to 9.0 × 10-2 the thickness of nano-fuzz layer at the W surface was thinner and thinner, accompanied by the formation of rod-like structures. The erosion yield increased from 5.2 × 10-4 to 2.3 × 10-2 W/ion when R varied from 4.0 × 10-6 to 9.0 × 10-2. The X-ray diffraction analysis shows that tungsten oxides were formed at the near surface of specimens when R exceeded 1.8 × 10-2. The erosion yield measurements revealed that in addition to surface physical sputtering process, the chemical erosion process could occur due to the interaction between oxygen-containing species and W at the surface. The results indicated that the presence of O2 impurity in He plasma can obviously affect the surface microstructure of W. The study suggested that O2 impurity can effectively reduce the growth of nano-fuzz structures.