scholarly journals Electronic structure predictions in Bi-O-S systems

2015 ◽  
Vol 1 (1) ◽  
Author(s):  
Corentin Morice ◽  
Emilio Artacho ◽  
Siddharth S. Saxena
Keyword(s):  
Experimental Data ◽  
Electronic Structure ◽  
Charge Carrier ◽  
Ab Initio ◽  
Carrier Density ◽  
Close Agreement ◽  
Charge Carrier Density ◽  
Ab Initio Methods ◽  
Calculated Density ◽  
Theoretical Results

AbstractBi4O4S3 was the first superconductor discovered in the BiS2 family of novel superconductors. The subfamily of Bi-O-S systems now expanded andwas probed both theoretically and experimentally. Here we review the experimentalwork done on the Bi-O-S compounds, and compare it with theoretical results obtained using ab-initio methods. In particular we calculate the charge carrier density using an ab-initio calculated density of states, and find a really close agreement with experimental data.

Calculations of the Spontaneous Polarizations and Dielectric Constants for AlN, GaN, InN, and SiC

2010 ◽  
Vol 645-648 ◽  
pp. 1203-1206
Author(s):  
Sergey Y. Davydov ◽  
Alexander A. Lebedev
Keyword(s):  
Experimental Data ◽  
Ab Initio ◽  
Spontaneous Polarization ◽  
Reasonable Agreement ◽  
Low Frequency ◽  
Analytical Form ◽  
Dielectric Constants ◽  
Numerical Calculations ◽  
Ab Initio Methods ◽  
Theoretical Results

Within the scope of the Harrison’s bond orbital model the spontaneous polarization, high- and low frequency dielectric constants are obtained in an analytical form. Theoretical results are in a reasonable agreement with the experimental data available and the numerical calculations based on the ab initio methods.

CH2 revisited

2004 ◽  
Vol 82 (6) ◽  
pp. 684-693 ◽  
Author(s):  
Apostolos Kalemos ◽  
Thom H Dunning Jr. ◽  
Aristides Mavridis ◽  
James F Harrison
Keyword(s):  
Experimental Data ◽  
Electronic Structure ◽  
Potential Energy ◽  
Ab Initio ◽  
Key Words ◽  
State Of The Art ◽  
Basis Sets ◽  
Ab Initio Methods ◽  
H Channels ◽  
Potential Curves

The first four states of the CH2 molecule ([Formula: see text]3B1, ã1 A1, [Formula: see text]1A1, and [Formula: see text]1A1) are examined using state-of-the-art ab initio methods and basis sets. The construction of potential energy curves with respect to the C + H2 and CH + H channels provides significant clues to understanding the geometric and electronic structure of the above states. All of our numerical findings are in excellent agreement with the existing experimental data. Key words: CH2, MRCI, potential curves, vbL icons.

Thermal Frequency Imaging: A New Application of Laser Voltage Imaging Applied on 40nm Technology

2011 ◽  
Author(s):  
Guillaume Celi ◽  
Sylvain Dudit ◽  
Thierry Parrassin ◽  
Philippe Perdu ◽  
Antoine Reverdy ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Laser Beam ◽  
Integrated Circuit ◽  
Carrier Density ◽  
Deep Submicron ◽  
Charge Carrier Density ◽  
Voltage Imaging ◽  
A New Technique ◽  
Scan Chain

Abstract For Very Deep submicron Technologies, techniques based on the analysis of reflected laser beam properties are widely used. The Laser Voltage Imaging (LVI) technique, introduced in 2009, allows mapping frequencies through the backside of integrated circuit. In this paper, we propose a new technique based on the LVI technique to debug a scan chain related issue. We describe the method to use LVI, usually dedicated to frequency mapping of digital active parts, in a way that enables localization of resistive leakage. Origin of this signal is investigated on a 40nm case study. This signal can be properly understood when two different effects, charge carrier density variations (LVI) and thermo reflectance effect (Thermal Frequency Imaging, TFI), are taken into account.

scholarly journals Zn2+ Ion Surface Enrichment in Doped Iron Oxide Nanoparticles Leads to Charge Carrier Density Enhancement

ACS Omega ◽  
2018 ◽  
Vol 3 (11) ◽  
pp. 16328-16337 ◽  
Author(s):  
Stanley Bram ◽  
Matthew N. Gordon ◽  
Michael A. Carbonell ◽  
Maren Pink ◽  
Barry D. Stein ◽  
...  
Keyword(s):  
Iron Oxide ◽  
Charge Carrier ◽  
Iron Oxide Nanoparticles ◽  
Carrier Density ◽  
Oxide Nanoparticles ◽  
Charge Carrier Density ◽  
Surface Enrichment ◽  
Density Enhancement

Tuning of charge carrier density by deposition pressure in Sb-doped Bi2Se3 thin films

2020 ◽  
Vol 693 ◽  
pp. 137689
Author(s):  
S. Abhirami ◽  
Shilpam Sharma ◽  
E.P. Amaladass ◽  
R. Rajitha ◽  
P. Magudapathy ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Carrier Density ◽  
Charge Carrier Density ◽  
Deposition Pressure

scholarly journals Moderate strain induced indirect bandgap and conduction electrons in MoS2 single layers

2019 ◽  
Vol 3 (1) ◽  
Author(s):  
János Pető ◽  
Gergely Dobrik ◽  
Gergő Kukucska ◽  
Péter Vancsó ◽  
Antal A. Koós ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Fermi Level ◽  
Conduction Band ◽  
Carrier Density ◽  
Tensile Strain ◽  
Charge Carrier Density ◽  
Conduction Electrons ◽  
Metallic Character ◽  
Optical Bandgaps ◽  
Biaxial Tensile Strain

Abstract MoS2 single layers are valued for their sizeable direct bandgap at the heart of the envisaged electronic and optoelectronic applications. Here we experimentally demonstrate that moderate strain values (~2%) can already trigger an indirect bandgap transition and induce a finite charge carrier density in 2D MoS2 layers. A conclusive proof of the direct-to-indirect bandgap transition is provided by directly comparing the electronic and optical bandgaps of strained MoS2 single layers obtained from tunneling spectroscopy and photoluminescence measurements of MoS2 nanobubbles. Upon 2% biaxial tensile strain, the electronic gap becomes significantly smaller (1.45 ± 0.15 eV) than the optical direct gap (1.73 ± 0.1 eV), clearly evidencing a strain-induced direct to indirect bandgap transition. Moreover, the Fermi level can shift inside the conduction band already in moderately strained (~2%) MoS2 single layers conferring them a metallic character.

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