Progress in Surface Science最新文献

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Ultrafast dynamics during the photoinduced phase transition in VO2 VO2光诱导相变过程中的超快动力学
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-12-01 DOI: 10.1016/j.progsurf.2015.10.001
Daniel Wegkamp, Julia Stähler
{"title":"Ultrafast dynamics during the photoinduced phase transition in VO2","authors":"Daniel Wegkamp,&nbsp;Julia Stähler","doi":"10.1016/j.progsurf.2015.10.001","DOIUrl":"https://doi.org/10.1016/j.progsurf.2015.10.001","url":null,"abstract":"<div><p>The phase transition of VO<sub>2</sub> from a monoclinic insulator to a rutile metal, which occurs thermally at <span><math><mrow><msub><mrow><mi>T</mi></mrow><mrow><mtext>C</mtext></mrow></msub></mrow></math></span> <!-->=<!--> <!-->340<!--> <!-->K, can also be driven by strong photoexcitation. The ultrafast dynamics during this photoinduced phase transition (PIPT) have attracted great scientific attention for decades, as this approach promises to answer the question of whether the insulator-to-metal (IMT) transition is caused by electronic or crystallographic processes through disentanglement of the different contributions in the time domain. We review our recent results achieved by femtosecond time-resolved photoelectron, optical, and coherent phonon spectroscopy and discuss them within the framework of a selection of latest, complementary studies of the ultrafast PIPT in VO<sub>2</sub>. We show that the population change of electrons and holes caused by photoexcitation launches a highly non-equilibrium plasma phase characterized by enhanced screening due to quasi-free carriers and followed by two branches of non-equilibrium dynamics: (i) an instantaneous (within the time resolution) collapse of the insulating gap that precedes charge carrier relaxation and significant ionic motion and (ii) an instantaneous lattice potential symmetry change that represents the onset of the crystallographic phase transition through ionic motion on longer timescales. We discuss the interconnection between these two non-thermal pathways with particular focus on the meaning of the critical fluence of the PIPT in different types of experiments. Based on this, we conclude that the PIPT threshold identified in optical experiments is most probably determined by the excitation density required to drive <em>the lattice potential change rather than the IMT</em>. These considerations suggest that the IMT can be driven by weaker excitation, predicting a transiently metallic, monoclinic state of VO<sub>2</sub> that is not stabilized by the non-thermal structural transition and, thus, decays on ultrafast timescales.</p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 4","pages":"Pages 464-502"},"PeriodicalIF":6.4,"publicationDate":"2015-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2015.10.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2401967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 82
Direct observation and control of hydrogen-bond dynamics using low-temperature scanning tunneling microscopy 用低温扫描隧道显微镜直接观察和控制氢键动力学
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-08-01 DOI: 10.1016/j.progsurf.2015.04.001
Takashi Kumagai
{"title":"Direct observation and control of hydrogen-bond dynamics using low-temperature scanning tunneling microscopy","authors":"Takashi Kumagai","doi":"10.1016/j.progsurf.2015.04.001","DOIUrl":"https://doi.org/10.1016/j.progsurf.2015.04.001","url":null,"abstract":"<div><p><span>Hydrogen(H)-bond dynamics are involved in many elementary processes in chemistry and biology. Because of its fundamental importance, a variety of experimental and theoretical approaches have been employed to study the dynamics in gas, liquid, solid phases, and their interfaces. This review describes the recent progress of direct observation and control of H-bond dynamics in several model systems on a metal surface by using low-temperature scanning tunneling microscopy (STM). General aspects of H-bond dynamics and the experimental methods are briefly described in chapter 1 and 2. In the subsequent four chapters, I present direct observation of an H-bond exchange reaction within a single water dimer (chapter 3), a symmetric H bond (chapter 4) and H-atom relay reactions (chapter 5) within water–hydroxyl complexes, and an intramolecular H-atom transfer reaction (tautomerization) within a single porphycene molecule (chapter 6). These results provide novel microscopic insights into H-bond dynamics </span><em>at the single-molecule level</em>, and highlight significant impact on the process from quantum effects, namely tunneling and zero-point vibration, resulting from the small mass of H atom. Additionally, local environmental effect on H-bond dynamics is also examined by using atom/molecule manipulation with the STM.</p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 3","pages":"Pages 239-291"},"PeriodicalIF":6.4,"publicationDate":"2015-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2015.04.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2401965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 37
Highly charged ion induced nanostructures at surfaces by strong electronic excitations 高电荷离子在强电子激发下诱导表面纳米结构
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-08-01 DOI: 10.1016/j.progsurf.2015.06.001
Richard A. Wilhelm , Ayman S. El-Said , Franciszek Krok , René Heller , Elisabeth Gruber , Friedrich Aumayr , Stefan Facsko
{"title":"Highly charged ion induced nanostructures at surfaces by strong electronic excitations","authors":"Richard A. Wilhelm ,&nbsp;Ayman S. El-Said ,&nbsp;Franciszek Krok ,&nbsp;René Heller ,&nbsp;Elisabeth Gruber ,&nbsp;Friedrich Aumayr ,&nbsp;Stefan Facsko","doi":"10.1016/j.progsurf.2015.06.001","DOIUrl":"https://doi.org/10.1016/j.progsurf.2015.06.001","url":null,"abstract":"<div><p><span><span>Nanostructure<span> formation by single slow highly charged ion impacts<span> can be associated with high density of electronic excitations at the impact points of the ions. Experimental results show that depending on the target material these electronic excitations may lead to very large desorption yields in the order of a few 1000 atoms per ion or the formation of nanohillocks at the impact site. Even in ultra-thin insulating membranes the formation of nanometer sized pores is observed after ion impact. In this paper, we show recent results on nanostructure formation by highly charged ions and compare them to structures and defects observed after intense electron and light </span></span></span>ion irradiation<span><span> of ionic crystals and graphene. Additional data on energy loss, charge exchange and secondary </span>electron emission of highly charged ions clearly show that the </span></span>ion charge dominates the defect formation at the surface.</p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 3","pages":"Pages 377-395"},"PeriodicalIF":6.4,"publicationDate":"2015-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2015.06.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2621778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 29
Ab initio quantum transport calculations using plane waves 用平面波从头算量子输运计算
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-08-01 DOI: 10.1016/j.progsurf.2015.05.002
A. Garcia-Lekue , M.G. Vergniory , X.W. Jiang , L.W. Wang
{"title":"Ab initio quantum transport calculations using plane waves","authors":"A. Garcia-Lekue ,&nbsp;M.G. Vergniory ,&nbsp;X.W. Jiang ,&nbsp;L.W. Wang","doi":"10.1016/j.progsurf.2015.05.002","DOIUrl":"https://doi.org/10.1016/j.progsurf.2015.05.002","url":null,"abstract":"<div><p>We present an <em>ab initio</em><span><span><span><span> method to calculate elastic quantum transport at the </span>nanoscale. The method is based on a combination of </span>density functional theory using plane wave nonlocal </span>pseudopotentials<span><span> and the use of auxiliary periodic boundary conditions to obtain the scattering states. The method can be applied to any applied bias voltage and the charge density and potential profile can either be calculated self-consistently, or using an approximated self-consistent field (SCF) approach. Based on the scattering states one can straightforwardly calculate the transmission coefficients and the corresponding electronic current. The overall scheme allows us to obtain accurate and numerically stable solutions for the elastic transport, with a computational time similar to that of a ground state calculation. This method is particularly suitable for calculations of tunneling currents through vacuum, that some of the </span>nonequilibrium<span><span><span> Greens function (NEGF) approaches based on atomic basis sets might have difficulty to deal with. Several examples are provided using this method from </span>electron tunneling, to </span>molecular electronics, to electronic devices: (i) On a Au nanojunction, the tunneling current dependence on the electrode–electrode distance is investigated. (ii) The tunneling through field emission resonances (FERs) is studied via an accurate description of the surface vacuum states. (iii) Based on quantum transport calculations, we have designed a molecular conformational switch, which can turn on and off a molecular junction by applying a perpendicular electric field. (iv) Finally, we have used the method to simulate tunnel field-effect transistors (TFETs) based on two-dimensional transition-metal dichalcogenides (TMDCs), where we have studied the performance and scaling limits of such nanodevices and proposed atomic doping to enhance the transistor performance.</span></span></span></p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 3","pages":"Pages 292-318"},"PeriodicalIF":6.4,"publicationDate":"2015-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2015.05.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3390755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 13
Hot electron lifetimes in metals probed by time-resolved two-photon photoemission 用时间分辨双光子光电发射探测金属中的热电子寿命
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-08-01 DOI: 10.1016/j.progsurf.2015.05.001
M. Bauer , A. Marienfeld , M. Aeschlimann
{"title":"Hot electron lifetimes in metals probed by time-resolved two-photon photoemission","authors":"M. Bauer ,&nbsp;A. Marienfeld ,&nbsp;M. Aeschlimann","doi":"10.1016/j.progsurf.2015.05.001","DOIUrl":"https://doi.org/10.1016/j.progsurf.2015.05.001","url":null,"abstract":"<div><p>This review reports on experimental and theoretical results on the inelastic decay of optically excited volume electrons in different types of metals, including simple metals (Al), noble metals<span><span> (Au, Ag, Cu), transition metals (Ta, Mo, Rh, Co, Fe, Ni) and rare earth metals (Gd, Tb, Yb, La). The comparison of the different materials and material classes provides particular insight into the relevance of the localization and delocalization of electronic states for inelastic carrier scattering processes. The discussion of the data illustrates furthermore the capabilities and limitations of the time-resolved two-photon </span>photoemission technique as well as current theoretical approaches in analyzing and determining inelastic lifetimes of excited electrons.</span></p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 3","pages":"Pages 319-376"},"PeriodicalIF":6.4,"publicationDate":"2015-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2015.05.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2067678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 164
The influence of electron confinement, quantum size effects, and film morphology on the dispersion and the damping of plasmonic modes in Ag and Au thin films 电子约束、量子尺寸效应和薄膜形态对银和金薄膜中等离子体模式色散和阻尼的影响
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-05-01 DOI: 10.1016/j.progsurf.2014.12.002
Antonio Politano , Gennaro Chiarello
{"title":"The influence of electron confinement, quantum size effects, and film morphology on the dispersion and the damping of plasmonic modes in Ag and Au thin films","authors":"Antonio Politano ,&nbsp;Gennaro Chiarello","doi":"10.1016/j.progsurf.2014.12.002","DOIUrl":"https://doi.org/10.1016/j.progsurf.2014.12.002","url":null,"abstract":"<div><p>Plasmons<span> are collective longitudinal modes of charge fluctuation in metal samples excited by an external electric field. Surface plasmons (SPs) are waves that propagate along the surface of a conductor. SPs find applications in magneto-optic data storage, optics, microscopy, and catalysis.</span></p><p><span><span>The investigation of SPs in silver<span> and gold is relevant as these materials are extensively used in plasmonics. The theoretical approach for calculating plasmon modes in noble metals is complicated by the existence of localized d electrons near the </span></span>Fermi level. Nevertheless, recent calculations based on linear response theory and time-dependent </span>local density approximation adequately describe the dispersion and damping of SPs in noble metals.</p><p>Furthermore, in thin films the electronic response is influenced by electron quantum confinement. Confined electrons modify the dynamical screening processes at the film/substrate interface by introducing novel properties with potential applications. The presence of quantum well states in the Ag and Au overlayer affects both the dispersion relation of SP frequency and the damping processes of the SP.</p><p>Recent calculations indicate the emergence of acoustic surface plasmons (ASP) in Ag thin films exhibiting quantum well states. The slope of the dispersion of ASP decreases with film thickness.</p><p><span>High-resolution electron energy loss spectroscopy (HREELS) is the main experimental technique for investigating collective </span>electronic excitations, with adequate resolution in both the energy and momentum domains to investigate surface modes.</p><p>Herein we review on recent progress of research on collective electronic excitations in Ag and Au films deposited on single-crystal substrates.</p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 2","pages":"Pages 144-193"},"PeriodicalIF":6.4,"publicationDate":"2015-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2014.12.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2065095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Action spectroscopy for single-molecule reactions – Experiments and theory 单分子反应的作用光谱学。实验和理论
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-05-01 DOI: 10.1016/j.progsurf.2014.12.001
Y. Kim , K. Motobayashi , T. Frederiksen , H. Ueba , M. Kawai
{"title":"Action spectroscopy for single-molecule reactions – Experiments and theory","authors":"Y. Kim ,&nbsp;K. Motobayashi ,&nbsp;T. Frederiksen ,&nbsp;H. Ueba ,&nbsp;M. Kawai","doi":"10.1016/j.progsurf.2014.12.001","DOIUrl":"https://doi.org/10.1016/j.progsurf.2014.12.001","url":null,"abstract":"&lt;div&gt;&lt;p&gt;&lt;span&gt;We review several representative experimental results of action spectroscopy (AS) of single molecules on metal surfaces using a scanning tunneling microscope (STM) by M. Kawai’s group over last decade. The experimental procedures to observe STM-AS are described. A brief description of a low-temperature STM and experimental setup are followed by key experimental techniques of how to determine an onset bias voltage of a reaction and how to measure a current change associated with reactions and finally how to observe AS for single molecule reactions. The experimental results are presented for vibrationally mediated chemical transformation of &lt;/span&gt;&lt;em&gt;trans&lt;/em&gt;-2-butene to 1.3-butadiene molecule and rotational motion of a single &lt;em&gt;cis&lt;/em&gt;-2-butene molecule among four equivalent orientations on Pd(1&lt;!--&gt; &lt;!--&gt;1&lt;!--&gt; &lt;span&gt;&lt;span&gt;0). The AS obtained from the motion clearly detects more vibrational modes than inelastic electron tunneling spectroscopy with an STM. AS is demonstrated as a useful and novel single molecule &lt;/span&gt;vibrational spectroscopy. The AS for a lateral hopping of water dimer on Pt(1&lt;/span&gt; &lt;!--&gt;1&lt;!--&gt; &lt;!--&gt;1) is presented as an example of novelty. Several distinct vibrational modes are detected as the thresholds in the AS. The assignment of the vibrational modes determined from the analysis of the AS is made from a view of the adsorption geometry of hydrogen-bond donor or acceptor molecules in water dimer.&lt;/p&gt;&lt;p&gt;A generic theory of STM-AS, i.e., a reaction rate or yield as a function of bias voltage, is presented using a single adsorbate resonance model for single molecule reactions induced by the inelastic tunneling current. Formulas for the reaction rate &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;R&lt;/mi&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Y&lt;/mi&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, i.e., reaction yield per electron &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Y&lt;/mi&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mi&gt;eR&lt;/mi&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;mo&gt;/&lt;/mo&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; are derived. It provides a versatile framework to analyze any vibrationally mediated reactions of single adsorbates on metal surfaces. Numerical examples are presented to demonstrate generic features of the vibrational generation rate and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Y&lt;/mi&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt; at different levels of approximations and to show how the effective broadening of the vibrational density of states (as described by Gaussian or Lorentzian functions) manifest themselves in &lt;/span&gt;&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Y&lt;/mi&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt; near the threshold bias voltage corresponding to a vibrational excitation responsible for reactions. A prefactor of &lt;/span&gt;&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Y&lt;/mi&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; is explicitly derived for various types of elementary processes. Our generic formula of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Y&lt;/mi&gt;&lt;mo&gt;(&lt;","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 2","pages":"Pages 85-143"},"PeriodicalIF":6.4,"publicationDate":"2015-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2014.12.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2401966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 78
Tunnelling junctions with additional degrees of freedom: An extended toolbox of scanning probe microscopy 具有额外自由度的隧道结:扫描探针显微镜的扩展工具箱
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-05-01 DOI: 10.1016/j.progsurf.2015.01.001
Christian Wagner , Ruslan Temirov
{"title":"Tunnelling junctions with additional degrees of freedom: An extended toolbox of scanning probe microscopy","authors":"Christian Wagner ,&nbsp;Ruslan Temirov","doi":"10.1016/j.progsurf.2015.01.001","DOIUrl":"https://doi.org/10.1016/j.progsurf.2015.01.001","url":null,"abstract":"<div><p>Considering studies of molecular adsorption we review recent developments in the field of scanning probe microscopy and in particular in scanning tunnelling microscopy, concentrating on the progress that has been achieved by controlled decoration of the microscope tip. A view is presented according to which the tip decoration generally introduces additional degrees of freedom into the scanning junction and thus extends its functionality. In particular tips decorated with atomic point-like particles may attain the additional function of a force sensor which is realized through the degrees of freedom associated with the relative position of the decorating probe-particle with respect to the tip. It is shown how the force sensor function of such tips helps when studying large molecular adsorbates. Further prospects of more complex junctions equipped with numerous internal degrees of freedom are discussed. It is argued that the main problem impeding the utilization of such junctions is related to their control. An approach towards a higher degree of control is presented that is based on the analysis of single molecule manipulation experiments.</p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 2","pages":"Pages 194-222"},"PeriodicalIF":6.4,"publicationDate":"2015-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2015.01.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2621779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 24
What is the orientation of the tip in a scanning tunneling microscope? 扫描隧道显微镜中尖端的方向是什么?
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-05-01 DOI: 10.1016/j.progsurf.2015.02.001
Gábor Mándi , Gilberto Teobaldi , Krisztián Palotás
{"title":"What is the orientation of the tip in a scanning tunneling microscope?","authors":"Gábor Mándi ,&nbsp;Gilberto Teobaldi ,&nbsp;Krisztián Palotás","doi":"10.1016/j.progsurf.2015.02.001","DOIUrl":"https://doi.org/10.1016/j.progsurf.2015.02.001","url":null,"abstract":"<div><p>The atomic structure and electronic properties of the tip apex can strongly affect the contrast of scanning tunneling microscopy (STM) images. This is a critical issue in STM imaging given the, to date unsolved, experimental limitations in precise control of the tip apex atomic structure. Definition of statistically robust procedures to indirectly obtain information on the tip apex structure is highly desirable as it would open up for more rigorous interpretation and comparison of STM images from different experiments. To this end, here we introduce a statistical correlation analysis method to obtain information on the local geometry and orientation of the tip used in STM experiments based on large scale simulations. The key quantity is the relative brightness correlation of constant-current topographs between experimental and simulated data. This correlation can be analyzed statistically for a large number of modeled tip orientations and geometries. Assuming a stable tip during the STM scans and based on the correlation distribution, it is possible to determine the tip orientations that are most likely present in an STM experiment, and exclude other orientations. This is especially important for substrates such as highly oriented pyrolytic graphite (HOPG) since its STM contrast is strongly tip dependent, which makes interpretation and comparison of STM images very challenging. We illustrate the applicability of our method considering the HOPG surface in combination with tungsten tip models of two different apex geometries and 18,144 different orientations. We calculate constant-current profiles along the <span><math><mrow><mo>〈</mo><mn>1</mn><mspace></mspace><mover><mrow><mn>1</mn></mrow><mrow><mo>¯</mo></mrow></mover><mspace></mspace><mn>0</mn><mspace></mspace><mn>0</mn><mo>〉</mo></mrow></math></span> direction of the HOPG(0<!--> <!-->0<!--> <!-->0<!--> <!-->1) surface in the <span><math><mrow><mo>|</mo><mi>V</mi><mo>|</mo><mo>⩽</mo><mn>1</mn><mspace></mspace><mtext>V</mtext></mrow></math></span> bias voltage range, and compare them with experimental data. We find that a blunt tip model provides better correlation with the experiment for a wider range of tip orientations and bias voltages than a sharp tip model. Such a combination of experiments and large scale simulations opens up the way for obtaining more detailed information on the structure of the tip apex and more reliable interpretation of STM data in the view of local tip geometry effects.</p></div>","PeriodicalId":416,"journal":{"name":"Progress in Surface Science","volume":"90 2","pages":"Pages 223-238"},"PeriodicalIF":6.4,"publicationDate":"2015-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.progsurf.2015.02.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2401968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 19
From two-dimensional materials to heterostructures 从二维材料到异质结构
IF 6.4 2区 工程技术
Progress in Surface Science Pub Date : 2015-02-01 DOI: 10.1016/j.progsurf.2014.11.001
Tianchao Niu, Ang Li
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引用次数: 123
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