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Bandgap Manipulation of Armchair Graphene nanoribbon
01 Sep 2020 | | Contributor(s):: Lance Fernandes
Bandgap Manipulation is very important for various applications. Optical Devices need smaller Bandgap where as Diode's need larger Bandgap. Armchair graphene Nanoribbon (AGNR) has a special property where if the numbers of atoms are multiple of three or multiple of three plus one, they are...
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Genetic Algorithm Based Tight Binding Parameterisation
08 Aug 2018 | | Contributor(s):: Samik Mukherjee
This paper is a short description on how to use MATLAB genetic algorithm toolbox for generating tight binding parameters. A Hamiltonian is constructed and interfaced with MATLAB genetic algorithm for generating parameters that have been put in NEMO5 quantum transport software.
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Bismide Semiconductors: Revolutionising Telecom Lasers
19 Oct 2015 | | Contributor(s):: Muhammad Usman, Christopher A Broderick, Eoin P O\'reilly
Today’s telecomm lasers are plagued with Auger-related losses, which significantly reduce their efficiency and make device cooling essential. We are proposing a radical change in the laser technology by developing a new class of materials, bismide semiconductors. These novel nanomaterials...
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High Precision Quantum Control of Single Donor Spins in Silicon
14 Jan 2008 | | Contributor(s):: Rajib Rahman, marta prada, Gerhard Klimeck, Lloyd Hollenberg
The Stark shift of the hyperfine coupling constant is investigated for a P donor in Si far below the ionization regime in the presence of interfaces using tight-binding and band minima basis approaches and compared to the recent precision measurements. In contrast with previous effective...
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Valley splitting in strained silicon quantum wells modeled with 2 degree miscuts, step disorder, and alloy disorder
14 Jan 2008 | | Contributor(s):: Neerav Kharche, marta prada, Timothy Boykin, Gerhard Klimeck
Valley splitting (VS) in strained SiGe/Si/SiGe quantum wells grown on (001) and 2° miscut substrates is computed in a magnetic field. Calculations of flat structures significantly overestimate, while calculations of perfectly ordered structures underestimate experimentally observed VS. Step...
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Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms
14 Jan 2008 | | Contributor(s):: Gerhard Klimeck, Timothy Boykin
The broadening of the conduction and valence band edges due to compositional disorder in alloyed materials of finite extent is studied using an s p3 s ∗ tight binding model. Two sources of broadening due to configuration and concentration disorder are identified. The concentrational disorder...