arXiv subjects

Yuriy Dedkov

Publications and source records attributed to Yuriy Dedkov.

31 records · Page 2Linked to original sources

arXiv2018

The graphene/n-Ge(110) interface: structure, doping, and electronic properties

The implementation of graphene in semiconducting technology requires the precise knowledge about the graphene-semiconductor interface. In our work the structure and electronic properties of the graphene/$n$-Ge(110) interface are investigated on the local (nm) and macro (from $μ\mathrm{m}$ to mm) scales via a combination of different microscopic and spectroscopic surface science techniques accompanied by density functional theory calculations. The electronic structure of freestanding graphene remains almost completely intact in this system, with only a moderate $n$-doping indicating weak interaction between graphene and the Ge substrate. With regard to the optimization of graphene growth it is found that the substrate temperature is a crucial factor, which determines the graphene layer alignment on the Ge(110) substrate during its growth from the atomic carbon source. Moreover, our results demonstrate that the preparation routine for graphene on the doped semiconducting material ($n$-Ge) leads to the effective segregation of dopants at the interface between graphene and Ge(110). Furthermore, it is shown that these dopant atoms might form regular structures at the graphene/Ge interface and induce the doping of graphene. Our findings help to understand the interface properties of the graphene-semiconductor interfaces and the effect of dopants on the electronic structure of graphene in such systems.

cond-mat.mtrl-sci↗

arXiv2017

Growth and electronic structure of graphene on semiconducting Ge(110)

The direct growth of graphene on semiconducting or insulating substrates might help to overcome main drawbacks of metal-based synthesis, like metal-atom contaminations of graphene, transfer issues, etc. Here we present the growth of graphene on n-doped semiconducting Ge(110) by using an atomic carbon source and the study of the structural and electronic properties of the obtained interface. We found that graphene interacts weakly with the underlying Ge(110) substrate that keeps graphene's electronic structure almost intact promoting this interface for future graphene-semiconductor applications. The effect of dopants in Ge on the electronic properties of graphene is also discussed.

cond-mat.mtrl-sci↗

arXiv2017

Comment on "Spin-Orbit Coupling Induced Gap in Graphene on Pt(111) with Intercalated Pb Monolayer"

Recently a paper of Klimovskikh et al. was published presenting experimental and theoretical analysis of the graphene/Pb/Pt(111) system. The authors investigate the crystallographic and electronic structure of this graphene-based system by means of LEED, ARPES, and spin-resolved PES of the graphene $π$ states in the vicinity of the Dirac point of graphene. The authors of this paper demonstrate that an energy gap of approx. 200 meV is opened in the spectral function of graphene directly at the Dirac point of graphene and spin-splitting of 100 meV is detected for the upper part of the Dirac cone. On the basis of the spin-resolved photoelectron spectroscopy measurements of the region around the gap the authors claim that these splittings are of a spin-orbit nature and that the observed spin structure confirms the observation of the quantum spin Hall state in graphene, proposed in earlier theoretical works. Here we will show that careful systematic analysis of the experimental data presented in this manuscript is needed and their interpretation require more critical consideration for making such conclusions. Our analysis demonstrates that the proposed effects and interpretations are questionable and require further more careful experiments.

cond-mat.mtrl-sci↗

arXiv2017

Local electronic properties of the graphene-protected giant Rashba-split BiAg$_2$ surface

We report the preparation of the interface between graphene and the strong Rashba-split BiAg$_2$ surface alloy and investigatigation of its structure as well as the electronic properties by means of scanning tunneling microscopy/spectroscopy and density functional theory calculations. Upon evaluation of the quasiparticle interference patterns the unpertrubated linear dispersion for the $π$ band of $n$-doped graphene is observed. Our results also reveal the intact nature of the giant Rashba-split surface states of the BiAg$_2$ alloy, which demonstrate only a moderate downward energy shift upon the presence of graphene. This effect is explained in the framework of density functional theory by an inward relaxation of the Bi atoms at the interface and subsequent delocalisation of the wave function of the surface states. Our findings demonstrate a realistic pathway to prepare a graphene protected giant Rashba-split BiAg$_2$ for possible spintronic applications.

cond-mat.mtrl-sci↗

arXiv2017

Decoupling of graphene from Ni(111) via oxygen intercalation

The combination of the surface science techniques (STM, XPS, ARPES) and density-functional theory calculations was used to study the decoupling of graphene from Ni(111) by oxygen intercalation. The formation of the antiferromagnetic (AFM) NiO layer at the interface between graphene and ferromagnetic (FM) Ni is found, where graphene protects the underlying AFM/FM sandwich system. It is found that graphene is fully decoupled in this system and strongly $p$-doped via charge transfer with a position of the Dirac point of $(0.69\pm0.02)$ eV above the Fermi level. Our theoretical analysis confirms all experimental findings, addressing also the interface properties between graphene and AFM NiO.

cond-mat.mtrl-sci↗

arXiv2016

Spectroscopic and DFT studies of graphene intercalation systems on metals

Intercalation of different species under graphene on metals is an effective way to tailor electronic properties of these systems. Here we present the successful intercalation of metallic (Cu) and gaseous (oxygen) specimens underneath graphene on Ir(111) and Ru(0001), respectively, that allows to change the charge state of graphene as well as to modify drastically its electronic structure in the vicinity of the Fermi level. We employ ARPES and STS spectroscopic methods in combination with state-of-the-art DFT calculations in order to illustrate how the energy dispersion of graphene-derived states can be studied in the macro- and nm-scale experiments.

cond-mat.mtrl-sci↗

arXiv2016

Adsorption of NO2 on WSe2: DFT and photoelectron spectroscopy studies

The electronic structure modifications of WSe2 upon NO2-adsorption at room and low temperatures were studied by means of photoelectron spectroscopy. We found only moderate changes in the electronic structure, which are manifested as an upward shift of the WSe2-related bands to the smaller binding energies. The observed effects are modelled within the density functional theory approach, where a weak adsorption energy of gas molecules on the surface of WSe2 was deduced. The obtained experimental data are explained as a valence bands polarisation effect, which causes their energy shift depending on the adsorption geometry and the formed dipole moment.

cond-mat.mtrl-sci↗

arXiv2016

Playing graphene nanodrums: force spectroscopy of graphene on Ru(0001)

Graphene, a thinnest material in the world, can form moire structures on different substrates, including graphite, h-BN, or metal surfaces. In such systems the structure of graphene, i. e. its corrugation, as well as its electronic and elastic properties are defined by the combination of the system geometry and local interaction strength at the interface. The corrugation in such structures on metals is heavily extracted from diffraction or local probe microscopy experiments and can be obtained only via comparison with theoretical data, which usually simulate the experimental findings. Here we show that graphene corrugation on metals can be measured directly employing atomic force spectroscopy and obtained value coincides with state-of-the-art theoretical results. We also address the elastic reaction of the formed graphene nanodoms on the indentation process by the scanning tip that is important for the modeling and fabrication of graphene-based nanoresonators on the nanoscale.

cond-mat.mes-hall↗

arXiv2015

Restoring a free-standing character of graphene on Ru(0001)

Realization of a free-standing graphene is always a demanding task. Here we use scanning probe microscopy and spectroscopy to study the crystallographic structure and electronic properties of the uniform free-standing graphene layers obtained by intercalation of oxygen monolayer in the "strongly" bonded graphene/Ru(0001) interface. Spectroscopic data show that such graphene layer is heavily p-doped with the Dirac point located at 552 meV above the Fermi level. Experimental data are understood within DFT and the observed effects are in good agreement with the theoretical data.

cond-mat.mtrl-sci↗

arXiv2015

Graphene growth and properties on metal substrates

Graphene-metal interface as one of the interesting graphene-based objects attracts much attention from both application and fundamental science points of view. This paper gives a timely review of the recent experimental works on the growth and the electronic properties of the graphene-metal interfaces. This work makes a link between huge amount of experimental and theoretical data allowing one to understand the influence of the metallic substrate on the electronic properties of a graphene overlayer and how its properties can be modified in a controllable way. The further directions of studies and applications of the graphene-metal interfaces are discussed.

cond-mat.mtrl-sci↗

arXiv2015

Graphene layer on Rh(111): combined DFT, STM, and NC-AFM studies

The simultaneous combination of scanning probe methods (tunnelling and force microscopies, STM and AFM) is a unique way to get an information about crystallographic and electronic structure of the studied surface. Here we apply these methods accompanied by the state-of-the-art density functional theory (DFT) calculations to shed a light on the structure and electronic properties of the strongly-corrugated graphene/Rh(111) system. The atomically resolved images are obtained for both STM and AFM modes and compared with the DFT results showing good agreement between theory and experiment.

cond-mat.mtrl-sci↗

arXiv2015

Scanning probe microscopy and spectroscopy of graphene on metals

Graphene, a two-dimensional (2D) material with unique electronic properties, appears to be an ideal object for the application of surface-science methods. Among them, a family of scanning probe microscopy methods (STM, AFM, KPFM) and the corresponding spectroscopy add-ons provide information about the structure and electronic properties of graphene on the local scale (from inline imagem to atoms). This review focuses on the recent applications of these microscopic/spectroscopic methods for the investigation of graphene on metals (interfaces, intercalation-like systems, graphene nanoribbons, and quantum dots, etc.). It is shown that very important information about interaction strength at the graphene/metal interfaces as well as about modification of the electronic spectrum of graphene at the Fermi level can be obtained on the local scale. The combination of these results with those obtained by other methods and comparison with recent theoretical data demonstrate the power of this approach for the investigation of the graphene-based systems.

cond-mat.mtrl-sci↗

arXiv2011

On the physisorption of water on graphene: a CCSD(T) study

The electronic structure of the zero-gap two-dimensional graphene has a charge neutrality point exactly at the Fermi level that limits the practical application of this material. There are several ways to modify the Fermi-level-region of graphene, e.g. adsorption of graphene on different substrates or different molecules on its surface. In all cases the so-called dispersion or van der Waals interactions can play a crucial role in the mechanism, which describes the modification of electronic structure of graphene. The adsorption of water on graphene is not very accurately reproduced in the standard density functional theory (DFT) calculations and highly-accurate quantum-chemical treatments are required. A possibility to apply wavefunction-based methods to extended systems is the use of local correlation schemes. The adsorption energies obtained in the present work by means of CCSD(T) are much higher in magnitude than the values calculated with standard DFT functional although they agree that physisorption is observed. The obtained results are compared with the values available in literature for binding of water on the graphene-like substrates.

cond-mat.mtrl-sci↗