Faculty of the Chemical Technology of Glass and Sitals at 80 years: youth knows — maturity can

Сигаев, В. Н.

doi:10.1007/s10717-013-9523-8

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2015

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“…1,2 These crystals possess a variety of functional properties including effective photoluminescence, noticeable second harmonic generation efficiency (SHG) and pyroelectric activity. [2][3][4][5] The stillwellite crystal has a trigonal stillwellite (CeBSiO 5 )-type structure, with a P 3 1 space group symmetry and three formula units (Z = 3) per unit cell. The principle structural units of stillwellite consist of infinite helical chains of BO 4 tetrahedra running parallel to the threefold screw axis, with each three tetrahedra forming a ring.…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of dielectric properties of rare earth stillwellite compounds

Shaltaf

Khalifeh

2015

Int. J. Mod. Phys. B

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Ab initio density functional calculations are performed to investigate the dielectric properties of LnBSiO 5 (Ln = Ce, Pr, Nd) with the stillwellite structure. The calculated structural parameters are found to agree well with existing experimental results. The three compounds possess insulating electronic structure with nearly isotropic high frequency dielectric permittivity tensors. On the other hand, the static dielectric permittivity tensors are found to be less isotropic. The anisotropy of static dielectric tensors are found to increase as the atomic number of the lanthanide increases.

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Section: Introductionmentioning

confidence: 99%