arXiv subjects

Iftikhar Ahmad

Publications and source records attributed to Iftikhar Ahmad.

29 records · Page 2Linked to original sources

arXiv2012

Accurate theoretical bandgap calculations of II-VI semiconductors

In this letter we present band gaps of II-VI semiconductors, calculated by the full potential linearized augmented plane wave (FP-LAPW) method with the modified Becke-Johnson (mBJ) potential. The accuracy of the calculated results is assessed by comparing them with the experimentally measured values. After careful analysis of the results presented in this paper, we found that the mBJ potential is very efficient in the predication of the bandgaps of II-VI semiconductors. It is also revealed that the effectiveness of mBJ is based on the proper treatment of the d-orbitals in the highly correlated electron system.

cond-mat.str-el↗

arXiv2011

Linear and non-linear optical response of Mg(x)Zn(1-x)O: A Density Functional study

Total and partial density of states, frequency dependent complex refractive index including extinction coefficient, optical conductivity and transmission of MgxZn1-xO (0 \leq x \leq 1) in rocksalt and wurtzite phases are calculated using full potential linearized augmented plane wave (FP-LAPW) method. The real part of refractive index decreases while the extinction coefficient, optical conductivity and transmission for rocksalt phase increases with the increase in Mg concentration. In wurtzite phase, ordinary and extraordinary indices decreases while extinction coefficient, optical conductivity and transmission increases in parallel as well as perpendicular to c-axis with the increase in the Mg concentration.

cond-mat.mtrl-sci↗

arXiv2011

Bandgap engineering of Cd1-xSrxO

Structural, electronic and optical properties of Cd1-xSrxO (0 \leq x \leq 1) are calculated for the first time using density functional theory. Our results show that these properties are strongly dependent on x. The bond between Cd and O is partially covalent and the covalent nature of the bond decreases as the concentration of Sr increases from 0 to 100%. It is found that Cd1-xSrxO is an indirect bandgap compound for the entire range of x and the bandgap of the alloy increases from 0.85 to 6.00 eV with the increase in Sr concentration. Frequency dependent dielectric functions ε1(ω), ε2(ω), refractive index n(ω) and absorption coefficient α(ω) are also calculated and discussed in details. The peak value of refractive indices shifts to higher energy regions with the increase in Sr. The striking feature of these alloys is that Cd0.5Sr0.5O is an anisotropic material. The larger value of the extraordinary refractive index confirms that the material is positive birefringence crystal. The present comprehensive theoretical study of the optoelectronic properties of the material predicts that it can be effectively used in optoelectronic applications in the wide range of spectrum; IR, visible and UV.

cond-mat.mtrl-sci↗

arXiv2011

Theoretical investigation of half-metallicity in Co/Ni substituted AlN

Results of Co and Ni substituted AlN in the zinc blende phase are presented. For spin up states the hybridized N-2p and Co/Ni-3d states form the valance bands with a bandgap around the Fermi level for both materials, while in the case of the spin down states the hybridized states cross the Fermi level and hence show metallic nature. It is found that, Al0.75Co0.25N and Al0.75Ni0.25N are ferromagnetic materials with magnetic moments of 4 μB and 3 μB respectively. The integer magnetic moments and the full spin polarization at the Fermi level make these compounds half-metallic semiconductors. Furthermore it is also found that the interaction with the N-2p state splits the 5-fold degenerate Co/Ni-3d states into t2g and eg states. The t2g states are located at higher energies than the eg states caused by the tetrahedral symmetry of these compounds.

cond-mat.mtrl-sci↗

arXiv2011

Cr doped III-V nitrides: potential candidates for spintronics

Studies of Cr-doped III-V nitrides, dilute magnetic alloys, in the zinc-blende crystal structure are presented. The objective of the work is to investigate half-metallicity in Al(0.75)Cr(0.25)N, Ga(0.75)Cr(0.25)N and In(0.75)Cr(0.25)N for their possible application in the spin based electronic devices. The calculated spin polarized band structures, electronic properties and magnetic properties of these compounds reveal that Al0.75Cr0.25N and Ga0.75Cr0.25N are half-metallic dilute magnetic semiconductors while In0.75Cr0.25N is metallic in nature. The present theoretical predictions provide evidence that some Cr doped III-V nitrides can be used in spintronics devices.

cond-mat.mtrl-sci↗

arXiv2010

Ab-initio study of the bandgap engineering of Al(1-x)Ga(x)N for optoelectronic applications

A theoretical study of Al(1-x)Ga(x)N, based on full-potential linearized augmented plane wave method, is used to investigate the variations in the bandgap, optical properties and non-linear behavior of the compound with the variation of Ga concentration. It is found that the bandgap decreases with the increase of Ga in Al(1-x)Ga(x)N. A maximum value of 5.5 eV is determined for the bandgap of pure AlN which reaches to minimum value of 3.0 eV when Al is completely replaced by Ga. The static index of refraction and dielectric constant decreases with the increase in bandgap of the material, assigning a high index of refraction to pure GaN when compared to pure AlN. The refractive index drops below 1 for photon energies larger than 14 eV results group velocity of the incident radiation higher than the vacuum velocity of light. This astonishing result shows that at higher energies the optical properties of the material shifts from linear to non-linear. Furthermore, frequency dependent reflectivity and absorption coefficients show that peak value of the absorption coefficient and reflectivity shifts towards lower energy in the UV spectrum with the increase in Ga concentration. This comprehensive theoretical study of the optoelectronic properties of the alloys is presented for the first time which predicts that the material can be effectively used in the optical devices working in the visible and UV spectrum.

cond-mat.mtrl-sci↗

arXiv2010

Investigation of structural and optoelectronic properties of BaThO3

Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can be effectively used in UV based optoelectronic devices. Different characteristic peaks in the wide UV range emerges mainly due to the transition of electrons between valance band state O-p and conduction band states Ba-d, Ba-f, Th-f and Th-d.

cond-mat.mtrl-sci↗

arXiv2010

Oscillations in the total photodetachment cross sections of a linear triatomic negative ion

The total photodetachment cross section of a linear triatomic negative ion using plane polarized laser light parallel to the axis of the molecular ion is derived. The cross section shows strong oscillations in contrast to the recently reported case, where the laser polarization was perpendicular to the axis of the triatomic molecular ion (Appl. Phys. Lett. 94, 041125, 2009). Closed orbit theory is used to explain these oscillations and the results are compared with a diatomic molecule.

physics.atom-ph↗

arXiv2009

Phase Diagram for Nflation

Recently, it was showed that there is a large N phase transition in Nflation, in which when the number of fields is large enough, the slow roll inflation phase will disappear. In this brief report, we illustrate the phase diagram for Nflation, and discuss the entropy bound and some relevant results. It is found that near the critical point the number of fields saturates dS entropy.

hep-th↗

arXiv2008

On Number of Nflation Fields

We study the Nflation model, in which a collection of massive scalar fields drive the inflation simultaneously. We find, when the number of fields is larger than the square of ratio of the Planck scale $M_p$ to the average value $\bar m$ of fields masses, the slow roll inflation region will disappear. This suggests that in order to make Nflation responsible for our observable universe, the number of fields driving the Nflation must be bounded by the above ratio. This result is also consistent with recent arguments from black hole physics.

hep-th↗

arXiv2008

Spectrum of Curvature Perturbation of Multi-field Inflation with Small-Field Potential

In this paper, we have studied the spectrum of curvature perturbation of multi-field inflation with general small-field potential. We assume that the isocurvature perturbation may be neglected, and by using the Sasaki-Stewart formalism, we found that the spectrum may be redder or bluer than of its corresponding single field. The result depends upon the values of fields and their effective masses at the horizon-crossing time. We discuss the relevant cases.

astro-ph↗