Electronic structure of free-standing InP and InAs nanowires

2006 ◽  
Vol 21 (11) ◽  
pp. 2927-2935 ◽  
Author(s):  
B. Lassen ◽  
M. Willatzen ◽  
R. Melnik ◽  
L.C. Lew Yan Voon
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Experimental Work ◽  
Band Gaps ◽  
Free Standing ◽  
Effective Masses ◽  
Inas Nanowires ◽  
Spurious Solution ◽  
Solution Problem

An eight-band k·p theory that does not suffer from the spurious solution problem is demonstrated. It is applied to studying the electronic properties of InP and InAs free-standing nanowires. Band gaps and effective masses are reported as a function of size, shape, and orientation of the nanowires. We compare our results with experimental work and with other calculations.

scholarly journals Effect of Substrate on Structural and Electronic Properties of Au-Pd, Au-Pt and Au-Ag Atomic Chains

2020 ◽  
pp. 7-18
Author(s):  
Mudra R. Dave ◽  
A. C. Sharma
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Magnetic Moment ◽  
Ground State ◽  
Substrate Effect ◽  
Free Standing ◽  
Cu Substrate ◽  
Structural And Electronic Properties ◽  
Atomic Chains

We report structure and electronic properties of Au-Pd, Au-Pt and Au-Ag bimetallic atomic chains absorbed on NiAl(110) and Cu(110) substrate. It is found that the presence of substrate significantly influences the electronic structure of the chains. Atoms of single chains of Au-Pd, Au-Pt and Au-Ag bind more strongly with Ni atoms of NiAl substrate, as compared with Cu atoms in Cu(110). The interaction between chain atoms is found stronger than the chain-substrate atoms, when chains are placed on Cu substrate, while it is other way round in case of chains on NiAl substrate. Effect of change in positions of atoms in bimetallic chains in presence of substrate is studied by placing double chains of Au-Pd, Au-Pt and Au-Ag on Cu (110) substrate in three different configurations. It is found that Au-Pd and Au-Pt bimetallic chains stabilize in double zigzag topology, when placed on Cu (110) substrate. While Au-Ag chains exhibit ladder topology on Cu(110) substrate. Ferromagnetism that is observed in ground state of free standing chains of Au-Pd and Au-Pt is not found when chains are absorbed on NiAl(110) and Cu(110) substrate. It is likely that the interaction between chain and substrate atoms results to zero magnetic moment.

Geometric and electronic structure of multilayered graphene: synergy of the nondirective ripples and the number of layers

2018 ◽  
Vol 20 (4) ◽  
pp. 2230-2237 ◽  
Author(s):  
Ting Ting Cui ◽  
Jian Chen Li ◽  
Wang Gao ◽  
Qing Jiang
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Two Dimensional ◽  
Free Standing ◽  
Number Of Layers

According to the Mermin–Wagner theorem, ripple deformation is ubiquitous in a two-dimensional (2D) free-standing sheet, influencing the electronic properties.

scholarly journals Низкоразмерные структуры карбида кремния: аналитические оценки характеристик электронного спектра

2020 ◽  
Vol 54 (5) ◽  
pp. 446
Author(s):  
С.Ю. Давыдов
Keyword(s):  
Silicon Carbide ◽  
Electronic Structure ◽  
Function Method ◽  
Tight Binding ◽  
Band Gaps ◽  
Tight Binding Approximation ◽  
One Dimensional ◽  
Dielectric Substrates ◽  
Effective Masses ◽  
Analytical Expressions

Abstract Using the Green’s function method within the tight-binding approximation, the electronic structure of an infinite silicon-carbide sheet, and nanoribbons and one-dimensional chains cut from it, is considered. Analytical expressions for band gaps, electron effective masses and characteristic velocities are derived. The effect of metal and dielectric substrates on the band characteristics is discussed.

Electronic Properties of Semiconductor Nanowires

2008 ◽  
Vol 8 (1) ◽  
pp. 1-26 ◽  
Author(s):  
L. C. Lew Yan Voon ◽  
Yong Zhang ◽  
B. Lassen ◽  
M. Willatzen ◽  
Qihua Xiong ◽  
...  
Keyword(s):  
Electronic Properties ◽  
State Of The Art ◽  
Tight Binding ◽  
Electronic Structure Calculations ◽  
Semiconductor Nanowires ◽  
Band Gaps ◽  
Polarization Anisotropy ◽  
Free Standing ◽  
Semi Empirical ◽  
Structure Calculations

This paper provides a review of the state-of-the-art electronic-structure calculations of semiconductor nanowires. Results obtained using empirical k · p, empirical tight-binding, semi-empirical pseudopotential, and with ab initio methods are compared. For conciseness, we will restrict our detailed discussions to free-standing plain and modulated nanowires. Connections to relevant experimental data, particularly band gaps and polarization anisotropy, will be made since these results depend crucially on the electronic properties. For completeness, a brief review on the synthesis of nanowires is included.

Mechanical and electronic properties of 2D-phthalocyanines under external strain

RSC Advances ◽  
2015 ◽  
Vol 5 (115) ◽  
pp. 94645-94649 ◽  
Author(s):  
Yilei Wang ◽  
Haili Zhang ◽  
Guisheng Zhang ◽  
Yanfeng Guo
Keyword(s):  
Electronic Properties ◽  
Band Gaps ◽  
Effective Masses ◽  
External Strain

External strain sparks the localization of π-electrons, leading to the increase of band gaps and effective masses in 2D-phthalocyanines.

scholarly journals Indirect bandgap, optoelectronic properties, and photoelectrochemical characteristics of high-purity Ta3N5 photoelectrodes

2021 ◽  
Vol 9 (36) ◽  
pp. 20653-20663
Author(s):  
Johanna Eichhorn ◽  
Simon P. Lechner ◽  
Chang-Ming Jiang ◽  
Giulia Folchi Heunecke ◽  
Frans Munnik ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
High Purity ◽  
Optoelectronic Properties ◽  
Precise Control ◽  
Insight Into

The (opto)electronic properties of Ta3N5 photoelectrodes are often dominated by defects, but precise control of these defects provides new insight into the electronic structure, photocarrier transport, and photoelectrochemical function.

Theory Of 3d Transition Metal Defects In 3C SiC

1996 ◽  
Vol 442 ◽  
Author(s):  
Harald Overhof
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Electronic Properties ◽  
Crystal Field ◽  
High Spin ◽  
Crystal Field Splitting ◽  
Large Crystal ◽  
Field Splitting ◽  
Vacancy Model ◽  
The Difference

AbstractThe electronic properties of 3d transition metal (TM) defects located on one of the four different tetrahedral positions in 3C SiC are shown to be quite site-dependent. We explain the differences for the 3d TMs on the two substitutional sites within the vacancy model: the difference of the electronic structure between the carbon vacancy VC and the silicon vacancy VSi is responsible for the differences of the 3d TMs. The electronic properties of 3d TMs on the two tetrahedral interstitial sites differ even more: the TMs surrounded tetrahedrally by four Si atoms experience a large crystal field splitting while the tetrahedral C environment does not give rise to a significant crystal field splitting at all. It is only in the latter case that high-spin configurations are predicted.

A multi-technique comparison of the electronic properties of pristine and nitrogen-doped polycrystalline SnO2

2016 ◽  
Vol 18 (32) ◽  
pp. 22617-22627 ◽  
Author(s):  
S. Livraghi ◽  
N. Barbero ◽  
S. Agnoli ◽  
C. Barolo ◽  
G. Granozzi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Spectroscopic Techniques ◽  
Nitrogen Doped ◽  
Technique Comparison

The electronic structure of nitrogen doped tin(iv) oxide (SnO2) materials prepared in the form of nanometric powders has been characterized employing a variety of spectroscopic techniques.

DFT Investigation of Substitution Effects on the Electronic Properties of Perylene Bisimides Derivatives

2014 ◽  
Vol 513-517 ◽  
pp. 347-350
Author(s):  
Bo Wei Chen ◽  
Ye Wei Xu ◽  
Lin Zhang
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Absorption Spectra ◽  
Electronic Structures ◽  
Semiconductor Materials ◽  
Substitution Effects ◽  
Density Functions ◽  
Computational Results ◽  
Good Accordance ◽  
Perylene Bisimides

Perylene Bisimides Derivatives (PBIs) are typical semiconductor materials. The electronic structures of PBIs were successfully investigated by density functions theory (DFT). The computational results were in the good accordance with the experimental UV-vis spectra. Additionally, the electronic structure and the variational UV-vis absorption spectra of PBIs were explained.

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

2002 ◽  
Vol 09 (02) ◽  
pp. 687-691
Author(s):  
L. I. JOHANSSON ◽  
C. VIROJANADARA ◽  
T. BALASUBRAMANIAN
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Band Gap ◽  
Electronic Properties ◽  
Surface State ◽  
Core Level ◽  
Clean Surface ◽  
Core Level Spectrum ◽  
Surface Band ◽  
Surface Electronic Structure

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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