Birefringence and polarized luminescence of a manganese(ii) chloride–triphenylphosphine oxide compound: application in LEDs and photolithography

Abstract

A new polymorphic modification of the well-known manganese(ii) compound [(Ph3PO)2MnCl2] (where Ph3PO is triphenylphosphine oxide) was designed and investigated in terms of photophysics, electron paramagnetic resonance, and density functional theory.

Pressure driven structural phase transitions and modulations in optical properties of lanthanum nitride: an account from on the fly molecular dynamics and SCF vis-à-vis non-SCF first-principle calculations

“…The birefringence values for the P4/nmm phase of the system, as estimated from SCF (nSCF) calculation are found to be ∼1.99 (1.53), 2.03 (1.42) and 1.83 (1.15) at E M ∼ 1.8, 2 and 2.5 eV respectively. The high n D values for the above referred phase of the compound in the visible region of the EM wave (1.7 < E M < 3 eV) may be helpful in designing enhanced optoelectronic devices such as polarizing prisms, optic-axis gratings, light modulators and polaroids [94,[119][120][121][122].…”