We report the results of ab-initio calculations based on Generalized Gradient app.oximation (GGA) and hybrid functional (HSE06) of electronic band structure, density of states and partial density of states to get a de...
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We report the results of ab-initio calculations based on Generalized Gradient app.oximation (GGA) and hybrid functional (HSE06) of electronic band structure, density of states and partial density of states to get a de...
We report the results of ab-initio calculations based on Generalized Gradient app.oximation (GGA) and hybrid functional (HSE06) of electronic band structure, density of states and partial density of states to get a deep insight into structural and electronic properties of P21 ferroelectric phase of Diisopropylammonium Bromide molecular crystal (DIPAB). We found that the optical band gap of the polar phase of DIPAB is ~ 5 eV confirming it as a good dielectric. Examination of the density of states and partial density of states reveal that the valence band maximum is mainly composed of bromine 4p orbitals and the conduction band minimum is dominated by carbon 2p, carbon 2s, and nitrogen 2s orbitals. A unique aspect of P21 ferroelectric phase is the permanent dipole within the material. We found that P21 DIPAB has a spontaneous polarization of 22.64 consistent with recent findings which make it good candidate for the creation of ferroelectric tunneling junctions (FTJs) which have the potential to be used as memory devices.
The paper discusses a new app.oach to merging conflicting propositional knowledge bases which builds on the idea that consistency can often be restored by interpreting propositions more flexibly, thus enlarging their ...
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The paper discusses a new app.oach to merging conflicting propositional knowledge bases which builds on the idea that consistency can often be restored by interpreting propositions more flexibly, thus enlarging their sets of models.
Network lifetime is a critical issue in Wireless Sensor Networks. It is possible to extend network lifetime by organizing the sensors into a number of sensor covers. However, with the limited bandwidth, coverage breac...
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Biological systems have recently been shown to share many of the properties of reactive systems. This observation has led to the idea of using methods devised for the construction (engineering) of complex reactive sys...
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