scholarly journals Electronic structure of a subnanometer wide bottom-up fabricated graphene nanoribbon: End states, band gap, and dispersion

2012 ◽  
Vol 86 (8) ◽  
Author(s):  
C. Bronner ◽  
F. Leyssner ◽  
S. Stremlau ◽  
M. Utecht ◽  
P. Saalfrank ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Graphene Nanoribbon ◽  
Bottom Up

scholarly journals A Novel Graphene Modelling: Bottom up Approach - Band Gap Studies to Transport in Python

2021 ◽  
Author(s):  
Bhavya Bhardwaj ◽  
Bala Tripura Sundari B
Keyword(s):  
Band Gap ◽  
Bilayer Graphene ◽  
Graphene Nanoribbon ◽  
Monolayer Graphene ◽  
Hamiltonian Matrix ◽  
Graphene Monolayer ◽  
Matrix Formulation ◽  
Material Models ◽  
Bottom Up ◽  
20 Nm

Abstract In this work we develop a computational, quantum level monolayer graphene nanoribbon (GNR) MOSFET of channel length of 10 and 20 nm, with a width of 2 nm and contacts of 2nm width is attached. To develop the MOSFET channel, a bottom up approach is adopted by developing the material model. First the material models of graphene nanoribbon is developed using pybinding module tool in python. The material models of monolayer, bilayer graphene nanoribbon are built on the principles of tight binding module. The methodology developed is based on the Hamiltonian matrix formulation that has been used to determine the E-k plots and LDOS plots of graphene monolayer, bilayer graphene nano ribbon. The GNR MOSFET that is structurally built in python is used to simulate graphene as a switch. Its band gap characteristics is presented as its performance as a switch and is verified with relevant work. Then GNR MOSFET is modelled using quantum principles of NEGF and greens function to determine the transmission characteristics and the I-V characteristics for channel lengths of 10 nm and 20 nm.

New Insights into the Nature of the Band Gap of CuGeO3 Nanoparticles: Synthesis, Electronic Structure, and Optical and Photocatalytic Properties

2019 ◽  
Author(s):  
Victor Y. Suzuki ◽  
Luís Henrique Cardozo Amorin ◽  
Natália H. de Paula ◽  
Anderson R. Albuquerque ◽  
Julio Ricardo Sambrano ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Material Design ◽  
Photocatalytic Properties ◽  
Critical Parameters ◽  
Synthetic Approach ◽  
Microwave Assisted ◽  
Theoretical Approaches ◽  
Nanoparticles Synthesis ◽  
First Time

<p>We report, for the first time, new insights into the nature of the band gap of <a>CuGeO<sub>3</sub> </a>(CGO) nanocrystals synthesized from a microwave-assisted hydrothermal method in the presence of citrate. To the best of our knowledge, this synthetic approach has the shortest reaction time and it works at the lowest temperatures reported in the literature for the preparation of these materials. The influence of the surfactant on the structural, electronic, optical, and photocatalytic properties of CGO nanocrystals is discussed by a combination of experimental and theoretical approaches, and that results elucidates the nature of the band gap of synthetized CGO nanocrystals. We believe that this particular strategy is one of the most critical parameters for the development of innovative applications and that result could shed some light on the emerging material design with entirely new properties.</p> <p><b> </b></p>

scholarly journals Improving the ZT of SnTe using electronic structure engineering: unusual behavior of Bi dopant in the presence of Pb as a co-dopant

2021 ◽  
Vol 2 (19) ◽  
pp. 6267-6271 ◽  
Author(s):  
U. Sandhya Shenoy ◽  
D. Krishna Bhat
Keyword(s):  
Electronic Structure ◽  
Synergistic Effect ◽  
Band Gap ◽  
Resonance Level ◽  
Unusual Behavior ◽  
Level Increase ◽  
Structure Engineering

Extraordinary tuning of electronic structure of SnTe by Bi in the presence of Pb as a co-adjuvant dopant. Synergistic effect of resonance level, increase in the band gap, valence and conduction sub-bands convergence leads to enhanced TE performance.

Electronic structure engineering of tin telluride through co-doping of bismuth and indium for high performance thermoelectrics: a synergistic effect leading to a record high room temperature ZT in tin telluride

2019 ◽  
Vol 7 (16) ◽  
pp. 4817-4821 ◽  
Author(s):  
U. Sandhya Shenoy ◽  
D. Krishna Bhat
Keyword(s):  
Electronic Structure ◽  
Synergistic Effect ◽  
Band Gap ◽  
High Performance ◽  
Room Temperature ◽  
Band Offset ◽  
Valence Band Offset ◽  
Co Doping ◽  
Tin Telluride ◽  
Structure Engineering

Resonance states due to Bi and In co-doping, band gap enlargement, and a reduced valence-band offset in SnTe lead to a record high room-temperature ZT.

scholarly journals DFT Study of the Electronic Structure of Cubic-SiC Nanopores with a C-Terminated Surface

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
M. Calvino ◽  
A. Trejo ◽  
M. I. Iturrios ◽  
M. C. Crisóstomo ◽  
Eliel Carvajal ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Density Functional ◽  
Surface Passivation ◽  
Phase Changes ◽  
Surface Relaxation ◽  
Oh Radicals ◽  
Functional Theory ◽  
Band Gap Engineering ◽  
Chemical Surface

A study of the dependence of the electronic structure and energetic stability on the chemical surface passivation of cubic porous silicon carbide (pSiC) was performed using density functional theory (DFT) and the supercell technique. The pores were modeled by removing atoms in the [001] direction to produce a surface chemistry composed of only carbon atoms (C-phase). Changes in the electronic states of the porous structures were studied by using different passivation schemes: one with hydrogen (H) atoms and the others gradually replacing pairs of H atoms with oxygen (O) atoms, fluorine (F) atoms, and hydroxide (OH) radicals. The results indicate that the band gap behavior of the C-phase pSiC depends on the number of passivation agents (other than H) per supercell. The band gap decreased with an increasing number of F, O, or OH radical groups. Furthermore, the influence of the passivation of the pSiC on its surface relaxation and the differences in such parameters as bond lengths, bond angles, and cell volume are compared between all surfaces. The results indicate the possibility of nanostructure band gap engineering based on SiC via surface passivation agents.

scholarly journals Field Effect on Crystal Phase of Silicon in Si/CeO2/SiO2Structure

2008 ◽  
Vol 2008 ◽  
pp. 1-4
Author(s):  
Dmitry E. Milovzorov
Keyword(s):  
Electronic Structure ◽  
Spatial Distribution ◽  
Band Gap ◽  
Buffer Layer ◽  
Field Effect ◽  
Cerium Dioxide ◽  
Silicon Film ◽  
Crystal Phase ◽  
Great Role ◽  
Defect Levels

The structural, optical, and conductivity properties of silicon film deposited on cerium dioxide buffer layer were studied. The electronic structure of system consists of various defect levels inside band gap. The temperature spatial distribution plays a great role in silicon crystallization. The field destruction of crystal phase and its restoration, after annealing, were investigated.

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