CHANGES INDUCED IN THE SURFACE ELECTRONIC STRUCTURE OF Be(0001) AFTER Si ADSORPTION

A study of effects induced in the Be 1s core level spectrum and in the surface band structure after Si adsorption on Be(0001) is reported. The changes in the Be 1s spectrum are quite dramatic. The number of resolvable surface components and the magnitude of the shifts do decrease and the relative intensities of the shifted components are drastically different compared to the clean surface. The surface band structure is also strongly affected after Si adsorption and annealing. At [Formula: see text] the surface state is found to move down from 2.8 to 4.1 eV. The band also splits at around 0.5 Å-1 along both the [Formula: see text] and [Formula: see text] directions. At [Formula: see text] and beyond [Formula: see text] only one surface state is observed in the band gap instead of the two for the clean surface. Our findings indicate that a fairly small amount of Si in the outer atomic layers strongly modifies the electronic properties of these layers.

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THE SURFACE BAND STRUCTURE OF Li/Be$(10\bar{1}0)$

Surface Review and Letters ◽

10.1142/s0218625x02003913 ◽

2002 ◽

Vol 09 (03n04) ◽

pp. 1493-1496

Author(s):

L. I. JOHANSSON ◽

T. BALASUBRAMANIAN ◽

C. VIROJANADARA

Keyword(s):

Band Structure ◽

Fermi Level ◽

Surface State ◽

Room Temperature ◽

Surface States ◽

High Symmetry ◽

Clean Surface ◽

Surface Band ◽

State Band ◽

Li Adsorption

A photoemision study of the surface states on Be[Formula: see text] after Li adsorption at room temperature is reported. The surface band structure was mapped along four high symmetry directions of the SBZ. Fairly large shifts in the surface band locations were obtained but all surface states observed experimentally after Li adsorption were found to correspond to Be-derived states and no Li-derived surface states could be identified. The surface state bands located close to the Fermi level (E F ) were found to be affected the most and it is suggested that one surface state band which on the clean surface is located above E F is pulled down below E F after Li adsorption.

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Surface electronic structure of the wide band gap topological insulator PbBi4Te4Se3

Physical Review B ◽

10.1103/physrevb.100.195127 ◽

2019 ◽

Vol 100 (19) ◽

Cited By ~ 2

Author(s):

I. A. Shvets ◽

I. I. Klimovskikh ◽

Z. S. Aliev ◽

M. B. Babanly ◽

F. J. Zúñiga ◽

...

Keyword(s):

Electronic Structure ◽

Band Gap ◽

Topological Insulator ◽

Wide Band ◽

Wide Band Gap ◽

Surface Electronic Structure

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ELECTRONIC STRUCTURE OF THE CRYSTALLINE SILICON/n-FOLD SiO2 RING INTERFACE

Surface Review and Letters ◽

10.1142/s0218625x96002412 ◽

1996 ◽

Vol 03 (03) ◽

pp. 1403-1407

Author(s):

V.G. ZAVODINSKY ◽

I.A. KUYANOV

Keyword(s):

Electronic Structure ◽

Band Gap ◽

Crystalline Silicon ◽

Local Density ◽

Free Particle ◽

Silicon Cluster ◽

Surface Band ◽

Densities Of States ◽

Interfacial States ◽

Surface Changes

Using the ab initio local density approach we have studied the electronic structure of the systems consisting of the six-, four- and three-fold planar SiO 2 rings placed upon the surface of the silicon cluster. The interaction of the six- and four-fold rings with the silicon surface changes the electronic structure of the silica particle very weakly and the surface insulator band gap of 7–8 eV remains in their densities of states. The electronic structure of the three-fold planar ring undergoes a significant reconstruction. Its surface band gap is 3.7 eV instead of 7.6 eV for the free particle case. Two groups of the interfacial states were found inside the silicon semiconductor band gap.

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Surface electronic structure of theNdB6(110)clean surface studied by angle-resolved photoemission spectroscopy

Physical Review B ◽

10.1103/physrevb.56.7660 ◽

1997 ◽

Vol 56 (12) ◽

pp. 7660-7664 ◽

Cited By ~ 6

Author(s):

Akinori Tanaka ◽

Koji Tamura ◽

Hiroshi Tsunematsu ◽

Kazutoshi Takahashi ◽

Masayuki Hatano ◽

...

Keyword(s):

Electronic Structure ◽

Photoemission Spectroscopy ◽

Clean Surface ◽

Angle Resolved Photoemission Spectroscopy ◽

Surface Electronic Structure

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Atomic and Electronic Structure of LaAlO3 and LaAlO3:Mg from First-Principles Calculations

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.79-82.1257 ◽

2009 ◽

Vol 79-82 ◽

pp. 1257-1260

Author(s):

Li Guan ◽

Li Tao Jin ◽

Wei Zhang ◽

Qiang Li ◽

Jian Xin Guo ◽

...

Keyword(s):

Electronic Structure ◽

Band Structure ◽

Band Gap ◽

Density Functional ◽

Lattice Structure ◽

Cell Structure ◽

Functional Theory ◽

Super Cell ◽

Direct Band ◽

Experimental Values

In the present paper, the lattice structure, band structure and density of state of LaAlO3 and LaAlO3:Mg are calculated by first-principle method based on density functional theory. Firstly, we select the different cutoff energy and k-point grid in the calculations, and obtain the most stable geometry structure of single crystal LaAlO3. The calculated lattice parameters are a=b=5.441 Å, c=13.266 Å, which matches with experimental values. To deeply understand the electronic structure of LaAlO3, a 2×1×1 super-cell structure is established and the doping concentration of Mg at Al sites is 25%. From the band structure and density of states, it can be seen that LaAlO3 has a direct band gap Eg=3.6 eV. However, LaAlO3:Mg has a larger band gap Eg=3.89 eV and the Fermi level enters into the valence band, which indicates the holes are introduced. The calculated results show that the conductivity of LaAlO3:Mg is better than pure LaAlO3, which is in good agreement with experimental results.

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Alkali Metal and Alkaline Earth Encapsulated Silicene-Like Nanotubes

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.320.410 ◽

2011 ◽

Vol 320 ◽

pp. 410-414 ◽

Cited By ~ 2

Author(s):

Chuan Hui Zhang ◽

Qiong Ran ◽

Jiang Shen

Keyword(s):

Electronic Structure ◽

Alkali Metal ◽

Band Gap ◽

Electronic Properties ◽

Structural Stability ◽

Structure Analysis ◽

First Principles ◽

Alkaline Earth ◽

Experimental Studies ◽

Metal Atoms

The structural stability and electronic properties of silicene-like nanotubes by metal atoms encapsulated were studied by first-principles. The calculations demonstrate that all the structures of nanotubes are stable, expect beryllium doped. Some nanotubes are semiconductor with small value of band gap while others are conductor, because the interaction and hybridizations decrease the band gap. Our electronic structure analysis shows that metal atoms gain electrons and Si atoms lose electrons as a whole, some electrons transferred from Si to metal atoms. We hope that our calculations will provide help to further experimental studies.

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Surface state tunable energy and mass renormalization from homothetic quantum dot arrays

Nanoscale ◽

10.1039/c9nr07365e ◽

2019 ◽

Vol 11 (48) ◽

pp. 23132-23138 ◽

Cited By ~ 1

Author(s):

Ignacio Piquero-Zulaica ◽

Jun Li ◽

Zakaria M. Abd El-Fattah ◽

Leonid Solianyk ◽

Iker Gallardo ◽

...

Keyword(s):

Electronic Structure ◽

Quantum Dot ◽

Surface State ◽

The State ◽

Mass Renormalization ◽

Electron Confinement ◽

Surface Electronic Structure ◽

Metal Organic ◽

Organic Networks

The surface electronic structure is engineered by means of metal–organic networks. We show that on top of electron confinement phenomena, the energy of the state can be controlled via the adatom coordination density.

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Electronic structure and spin-orbit coupling in ternary transition metal chalcogenides Cu2TlX 2 (X=Se, Te)

Chinese Physics B ◽

10.1088/1674-1056/ac3ecd ◽

2021 ◽

Author(s):

Na Qin ◽

Xian Du ◽

Yangyang Lv ◽

Lu Kang ◽

Zhongxu Yin ◽

...

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio ◽

Band Gap ◽

Electronic Properties ◽

Orbit Coupling ◽

Metal Chalcogenides ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Transition Metal Chalcogenides

Abstract Ternary transition metal chalcogenides provide a rich platform to search and study intriguing electronic properties. Using Angle-Resolved Photoemission Spectroscopy and ab initio calculation, we investigate the electronic structure of Cu2TlX 2 (X = Se, Te), ternary transition metal chalcogenides with quasi-two-dimensional crystal structure. The band dispersions near the Fermi level are mainly contributed by the Te/Se p orbitals. According to our ab-initio calculation, the electronic structure changes from a semiconductor with indirect band gap in Cu2TlSe2 to a semimetal in Cu2TlTe2, suggesting a band-gap tunability with the composition of Se and Te. By comparing ARPES experimental data with the calculated results, we identify strong modulation of the band structure by spin-orbit coupling in the compounds. Our results provide a ternary platform to study and engineer the electronic properties of transition metal chalcogenides related to large spin-orbit coupling.

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Chemical Functionalization of Graphene Nanoribbons

Journal of Nanomaterials ◽

10.1155/2010/513501 ◽

2010 ◽

Vol 2010 ◽

pp. 1-7 ◽

Cited By ~ 32

Author(s):

Narjes Gorjizadeh ◽

Yoshiyuki Kawazoe

Keyword(s):

Magnetic Properties ◽

Electronic Structure ◽

Band Gap ◽

Electronic Properties ◽

Functional Groups ◽

Graphene Nanoribbons ◽

Honeycomb Lattice ◽

Chemical Functionalization ◽

Electronic And Magnetic Properties

We review the electronic properties of graphene nanoribbons functionalized by various elements and functional groups. Graphene nanoribbons are strips of graphene, the honeycomb lattice of carbon withsp2hybridization. Basically nanoribbons can be classified into two categories, according to the geometry of their edge, armchair, and zigzag, which determine their electronic structure. Due to their fascinating electronic and magnetic properties many applications has been suggested for these materials. One of the major methods to use graphene nanoribbons in future applications is chemical functionalization of these materials to make an engineering on their band gap. In this review, we introduce various types of modifying graphene nanoribbons to meet their promising applications.

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Electronic Structure and Thermoelectric Properties of AxMo3Sb5Te2

MRS Proceedings ◽

10.1557/proc-793-s6.2 ◽

2003 ◽

Vol 793 ◽

Author(s):

Navid Soheilnia ◽

Holger Kleinke

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Band Structure ◽

Band Gap ◽

Thermoelectric Properties ◽

Gap Size ◽

Formula Unit ◽

Chemically Modified ◽

Thermoelectric Energy ◽

Attractive Candidate

ABSTRACTMo3Sb7 may be chemically modified to become semiconducting by replacing two Sb atoms with two Te atoms (per formula unit). This material may be an attractive candidate for the thermoelectric energy conversion, as its thermal conductivity may be lowered by creating the rattling effect upon intercalation of small cations, and its band structure may be tailored, i.e. the band gap size modified. The higher the Te content and the higher the cation amount, the smaller is the band gap, which can virtually reach any value below 0.5 eV.

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