نتایج جستجو برای: band theory

تعداد نتایج: 905784  

Journal: :international journal of nano dimension 0
a. rastkar ebrahimzadeh molecular simulation lab, azarbaijan shahid madani university, tabriz, iran. m. abbasi molecular simulation lab, azarbaijan shahid madani university, tabriz, iran. j. jahanbin sardroodi molecular simulation lab, azarbaijan shahid madani university, tabriz, iran. s. afshari molecular simulation lab, azarbaijan shahid madani university, tabriz, iran.

adsorption of no2 molecule on pristine and n-doped tio2 anatase nanoparticles have been studied using the density functional theory (dft) technique. the structural properties (such as bond lengths and bond angles) and the electronic properties (such as density of states, band structures and atomic partial charges) have been computed for considered nanoparticles. the results show that, the adsor...

صالحی, حمداله, نظری , حسن ,

In this paper, electronic structure, energy band structure and electronic density in cubic phase for semi-conductor MgSe are studied using WIEN2k package. This employs the Full Potential-Linearized augmented Plane Wave (FP-LAPW) method in the framework of Density Functional Theory (DFT) with generalize different approximations. The results showed a band gap of 2.4 eV at Γ point in the Birrouin ...

Journal: :Advances in Mathematics 2022

Hyperbolic lattices underlie a new form of quantum matter with potential applications to computing and simulation which, date, have been engineered artificially. A corresponding hyperbolic band theory has emerged, extending 2-dimensional Euclidean in natural way higher-genus configuration spaces. Attempts develop the analogue Bloch's theorem revealed an intrinsic role for algebro-geometric modu...

Journal: :Progress of Theoretical Physics Supplement 1992

ژورنال: :international journal of new chemistry 0

the stable configurations, electronic structure and magnetic properties of b16n16, b8c24, al and p inserted (bc3)8 was studied by performing density functional theory (dft) calculations of the nmr parameters. the results indicate that b8c24 has semiconductivity property and be effectively modified by inserting groups due to the introduction of certain impurity states within the band gap of the ...

Journal: :international journal of bio-inorganic hybrid nanomaterials 0

in this work facile sol-gel (pechni) method has been successfully established to synthesize zn4b6o13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 a. the structure and morphology of the obtained material were studied by x-ray diffraction (xrd), infrared spectra (ir), scanning electron microscopy (sem) and photoluminescence analysis. the experimental results show a band ...

Journal: :The Journal of the Acoustical Society of America 1978

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