scholarly journals Anisotropic ultrahigh hole mobility in two-dimensional penta-SiC2 by strain-engineering: electronic structure and chemical bonding analysis

RSC Advances ◽  
2017 ◽  
Vol 7 (72) ◽  
pp. 45705-45713 ◽  
Author(s):  
Yuanfeng Xu ◽  
Zeyu Ning ◽  
Hao Zhang ◽  
Gang Ni ◽  
Hezhu Shao ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Chemical Bonding ◽  
Room Temperature ◽  
Hole Mobility ◽  
Strain Engineering ◽  
Uniaxial Strain ◽  
Two Dimensional ◽  
Bonding Analysis

At room temperature, the uniaxial strain (εx = −8%) can enhance the hole mobility of monolayer penta-SiC2 along the b-direction by almost three orders of magnitude up to 1.14 × 106 cm2 V−1 s−1, which is much larger than that of graphene.

Site-projected electronic structure of two-dimensional Ti3C2MXene: the role of the surface functionalization groups

2016 ◽  
Vol 18 (45) ◽  
pp. 30946-30953 ◽  
Author(s):  
Damien Magne ◽  
Vincent Mauchamp ◽  
Stéphane Célérier ◽  
Patrick Chartier ◽  
Thierry Cabioc'h
Keyword(s):  
Electronic Structure ◽  
Surface Functionalization ◽  
Chemical Bonding ◽  
Surface Groups ◽  
Two Dimensional ◽  
Object Level

The role of the surface groups in chemical bonding in two dimensional Ti3C2is evidenced at the nano-object level.

Formation and Electronic Structure of the Mn/GaAs(100) Interface

1992 ◽  
Vol 281 ◽  
Author(s):  
X. Jin ◽  
M. Zhang ◽  
G. S. Dong ◽  
Z. S. Li ◽  
Xun Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electron Density ◽  
Density Of States ◽  
Room Temperature ◽  
Early Stage ◽  
Ferromagnetic Phase ◽  
Two Dimensional ◽  
Interface Diffusion ◽  
Electron Density Of States ◽  
Fermi Edge

ABSTRACTFormation and electronic structure of the Mn/GaAs(100) interface grown at room temperature are studied by photoemission. The growth at early stage is identified to be in two-dimensional mode. The chemical reaction and the interface diffusion happened between Mn and GaAs are explored in some details. A ferromagnetic phase of Mn overlayer at early stage is deduced from the change of electron density of states near the Fermi edge.

scholarly journals Electrical properties of strained germanium nanofilm

2021 ◽  
Vol 22 (2) ◽  
pp. 313-320
Author(s):  
S.V. Luniov ◽  
P.F. Nazarchuk ◽  
O.V. Burban
Keyword(s):  
Electrical Properties ◽  
Band Structure ◽  
Crystallographic Orientation ◽  
Room Temperature ◽  
Specific Conductivity ◽  
Hole Mobility ◽  
Two Dimensional ◽  
Dimensional Electron ◽  
Dimensional Quantization ◽  
Different Temperatures

Dependences of the concentration of intrinsic current carriers, electron and hole mobilities and specific conductivity for strained germanium nanofilms grown on the Si, Ge(0,64)Si(0,36) and Ge(0,9)Si(0,1) substrates with crystallographic orientation (001), on their thickness at different temperatures were calculated on the basis of the statistics of non-degenerate two-dimensional electron and hole gas in semiconductors. The electrical properties of such nanofilms are determined by the peculiarities of their band structure. It is established that the effects of dimensional quantization, the probability of which increases with decreasing temperature, become significant for germanium nanofilms with the thickness of d<7 nm. The presence of such effects explains the significant increase in the specific conductivity and the decrease in the intrinsic concentration of current carriers for these nanofilms. The electron and hole mobility in the investigated germanium nanofilms is lower in relation to such unstrained nanofilms. Only for the strained germanium nanofilm with the thickness of d> 50 nm grown on the Ge(0,9)Si(0,1) substrate, an increase in the hole mobility at room temperature of more than 1.5 times was obtained. The obtained results of the electrical properties of strained germanium nanofilms can be used in producing on their basis new elements of nanoelectronic.

Electronic structure of the Peierls compound K0.9Mo6O17

2002 ◽  
Vol 12 (9) ◽  
pp. 95-96
Author(s):  
H. Guyot ◽  
H. Balaska ◽  
J. Marcus
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Fermi Level ◽  
Valence Band ◽  
Conduction Band ◽  
Room Temperature ◽  
Two Dimensional ◽  
Conduction Electrons ◽  
Peierls Transition ◽  
Good Agreement

The purple potassium bronze of molybdenum is a quasi two-dimensional compound showing a Peierls transition at 120 K. This transition is driven by the properties of the conduction electrons. In order to confirm the nature of the transition, we have investigated at room temperature the electronic structure of this oxide and established its band structure in the ΓK direction. A weak conduction band is detected, well separated from the valence band by a depleted region. The valence band shows several structures attributed to oxygen-type states and to the K3p shallow core level. The structures of the conduction band reveal the presence of at least two bands crossing the Fermi level, in relatively good agreement with the calculated band structure.

Chemical Bonding in Laves Phases Revisited: Atom Volumina in Cs-K System

2008 ◽  
Vol 1128 ◽  
Author(s):  
Yuri Grin ◽  
Arndt Simon ◽  
Alim Ormeci
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Alkali Metal ◽  
Chemical Bonding ◽  
First Principles ◽  
Laves Phases ◽  
Bonding Analysis ◽  
Closest Packing ◽  
Geometrical Factors

AbstractLaves phases comprise a large group of intermetallic compounds with general composition AB2 and multi-component derivatives. The crystal structures of Laves phases are often regarded as closest packing of spheres. This observation, beginning with very early work on Laves phases, has led many researchers over the years, to emphasize the role of geometrical factors in the formation of Laves phases. In order to develop a firm understanding of chemical bonding in Laves phases and assess the importance of geometrical factors, we undertake a first-principles-electronic structure-based chemical bonding analysis for several representatives. As a first step towards this goal we concentrate on the K-Cs system which contains the Laves phase CsK2 and the hexagonal Cs6K7 compounds. In such alkali-metal-only compounds it is generally expected that chemical bonding effects are minimal. Atom volumina and charge transfer investigations reported here, however, suggest that even in alkali metal-alkali metal Laves phases chemical bonding plays a non-negligible role.

Formation and Electric Properties of Disordered Yb Layers on Si(111)7×7 Surface

2003 ◽  
Vol 770 ◽  
Author(s):  
Nickolay G. Galkin ◽  
Dmitrii L. Goroshko ◽  
Alexander S. Gouralnik ◽  
Sergei A. Dotsenko ◽  
Andrei N. Boulatov
Keyword(s):  
Room Temperature ◽  
Hole Concentration ◽  
Hole Mobility ◽  
Growth Stages ◽  
Two Dimensional ◽  
Interface Formation ◽  
Dimensional Growth ◽  
2D And 3D ◽  
Semiconductor Type

AbstractInterface formation in Yb/Si(111) system has been investigated by AES and EELS spectroscopy and in situ Hall measurements at room temperature. It was found that interface formation process may be divided into five stages: 1) two-dimensional growth of Yb, 2) intermixing and formation of two-dimensional Yb silicide, 3) formation of 3D silicide islands, 4) growth of Yb on 3D silicide islands, 5) coalescence of 3D Yb – Yb silicide islands and formation of continuos Yb film. We attribute the observed character of conductivity in Yb/Si(111) system to the evolution of morphological and electrical properties of the growing Yb layer (2D Yb, silicide, metal) rather than to the changes within the space charge layer under the surface. Some amplitude oscillations have been observed in sheet conductivity, hole mobility and surface hole concentration within the coverage range below 6 ML where formation of a continuos Yb silicide film completes. Conductivity oscillations are explained by transition from semiconductor-type conductivity at the first growth stages (two-dimensional Yb growth) to metal-like conductivity of 2D and 3D Yb silicide films.

scholarly journals Chemical Bonding Analysis in Ti1-x-yAlxTayN Solid Solutions

2019 ◽  
Author(s):  
Sergey Eremeev ◽  
A. R. Shugurov
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Ab Initio ◽  
Solid Solutions ◽  
Chemical Bonding ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Bonding Analysis ◽  
Comprehensive Study

<div>A comprehensive study of the evolution of electronic structure and chemical bonding in disordered Ti1-xAlxN and Ti1-x-y AlxTayN systems was performed by means of ab initio density functional theory calculations using crystal orbital Hamilton population technique.</div><br>

scholarly journals Chemical Bonding Analysis in Ti1-x-yAlxTayN Solid Solutions

2019 ◽  
Author(s):  
Sergey Eremeev ◽  
A. R. Shugurov
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Ab Initio ◽  
Solid Solutions ◽  
Chemical Bonding ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Bonding Analysis ◽  
Comprehensive Study

<div>A comprehensive study of the evolution of electronic structure and chemical bonding in disordered Ti1-xAlxN and Ti1-x-y AlxTayN systems was performed by means of ab initio density functional theory calculations using crystal orbital Hamilton population technique.</div><br>

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