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Gwalior, India

Atal Bihari Vajpayee Indian Institute of Information Technology and Management, Gwalior , commonly known as the Indian Institute of Information Technology and Management, Gwalior or ABV-IIITM is a university located in Gwalior, Madhya Pradesh, India, and one of India's Institutes of Information Technology. Established in 1997 and named for Atal Bihari Vajpayee, the institute obtained the status of Deemed University in 2001 and was recognized as an Institute of National Importance. The university campus is spread over 160 acres in the foothills of the Gwalior Fort. Wikipedia.

Srivastava A.,ABV Indian Institute of Information Technology and Management
Journal of molecular modeling | Year: 2014

Stability and electronic properties of zigzag (3 ≤ n ≤ 16) gallium phosphide nanotubes (GaP NTs) have been analyzed by employing a systematic ab-intio approach based on density functional theory using generalized gradient approximation with revised Perdew Burke Ernzerhoff type parameterization. Diameter dependence of bond length, buckling, binding energy, and band gap has been investigated and the analysis shows that the bond length and buckling decreases with increasing diameter of the tube, highest binding energy of (16, 0) confirms this as the most stable amongst all the NTs taken into consideration. The present GaP NTs shows direct band gap and it increases with diameter of the tubes. Using a two probe model for (4, 0) NT the I-V relationship shows an exponential increase in current on applying bias voltage beyond 1.73 volt.

Jaiswal N.K.,ABV Indian Institute of Information Technology and Management | Srivastava P.,ABV Indian Institute of Information Technology and Management
Journal of Computational and Theoretical Nanoscience | Year: 2012

We have performed a systematic study to investigate how transition metal (TM) atoms affect the electronic properties of zigzag graphene nanoribbons (ZGNR). We considered the interaction of ZGNR and TM taking Ni as a terminating element as well as a substitutional dopant at single vacancy sites. Present calculations revealed that all the considered ribbons have ferromagnetic ground state. The calculated binding energy varies from ?6.86 eV to ?10.55 eV for Ni-termination and ?4.07 eV to ?10.35 eV for Ni-doping that shows a rather strong binding. The present calculations revealed that edge doped ribbons are energetically more favourable than the center doping. Ni-termination enhances the metallicity with a little distortion in the characteristics band structure of ZGNR whereas in Ni-doping, the characteristics band structure is lost and a dispersive band appears at Fermi level. The position of this dispersive band is independent of the ribbon width and thus equalizing the metallicity in ZGNR. Width independent metallicity is crucial at nano regime. Copyright © 2012 American Scientific Publishers.

Jaiswal N.K.,ABV Indian Institute of Information Technology and Management | Srivastava P.,ABV Indian Institute of Information Technology and Management
Solid State Communications | Year: 2012

We have investigated the stability and electronic properties of Co-doped zigzag graphene nanoribbons (ZGNR) by employing first principles calculations based on density functional theory. The results show that Co impurities settled in antiferromagnetic ground state which is ∼2 meV favourable than ferromagnetic state. The formation energy indicates spontaneous formation of one-edge and centre doped structures, however, one-edge doping is found to be the most energetically favourable configuration. A charge transfer takes place from C to Co atoms which shows the formation of chemical bonding between C and Co. Binding energy also confirms the strong bonding of dopant Co impurity with C. The calculations show that band structures of all the ZGNR is substantially modified due to CoC charge transfer and the characteristic edge states of ZGNR are completely lost. Co-doping induces site independent enhanced metallicity irrespective of the ribbon widths. The broken degeneracy of electronic states in one-edge and centre doped ZGNR is important for spintronic applications. © 2012 Elsevier Ltd. All rights reserved.

Dhar J.,ABV Indian Institute of Information Technology and Management | Jatav K.S.,ABV Indian Institute of Information Technology and Management
Ecological Complexity | Year: 2013

In most models of population dynamics, diffusion between two patches is assumed to be either continuous or discrete, but in reality, many species diffuse only during a single period, and diffusion often occurs in regular pulses. Further, in forest habitats, the highest-level predator species are restricted to a specific territory, but prey can impulsively move between territories. Therefore, in this paper, we consider a delayed stage-structured predator-prey model with impulsively diffusive prey between two patches; in the model, patches represent the territories of two different predator populations. Here, we analytically obtain the global attractivity condition of predator-extinction periodic solutions for the system by using the concepts of Hui and Chen (2005); a numerical simulation is also included to illustrate this result. Further, we establish permanence conditions for the coexistence of the species using the theory of impulsive delayed differential equations. Finally, we explore the possibilities of the permanence of the system by using the growth rates of immature predators and the impulse period as critical parameters, and we also obtain the parameters' threshold limits using numerical experimentation. © 2012 Elsevier B.V.

Jain S.K.,ABV Indian Institute of Information Technology and Management | Srivastava P.,ABV Indian Institute of Information Technology and Management
Computational Materials Science | Year: 2011

We have employed density functional theory calculations in generalized-gradient approximation to investigate electronic and optical properties of single walled boron nanotubes. We have calculated binding energy per atom, band structure, partial density of states, dielectric function, absorption spectra and loss function for armchair (3, 3), zigzag (5, 0) and chiral (4, 2) nanotubes. Our calculations show that (4, 2) nanotube is highly stable and semiconducting with direct band gap of 0.40 eV followed by armchair (3, 3) and zigzag (5, 0) nanotubes depicting metallic nature. The optical properties of periodic nanotubes were performed for parallel and perpendicular polarized light. It is found that all the three nanotubes are anisotropic in nature and chiral (4, 2) nanotube showing single peak for both absorption spectra as well as loss function irrespective of polarization direction. © 2011 Elsevier B.V. All rights reserved.

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