Physical and optoelectronic features of lead-free A₂AgRhBr₆ (A = Cs, Rb, K, Na, Li) with halide double perovskite composition

Abstract

Variation in the composition of the A, B′, and B′′-sites to develop novel A2B′B′′X6 halide double perovskites is an important topic in areas as diverse as materials and nanoscience, photovoltaics,...

Self-Trapped Exciton Emission in a Zero-Dimensional (TMA)2SbCl5·DMF Single Crystal and Molecular Dynamics Simulation of Structural Stability

“…Using the band edge parabolic fitting method, the effective masses of the electrons ( m e * ) and holes ( m h * ) have been calculated. The effective masses can be fitted by the following formulas: in which E ( k ) presents the energy of band edge for the conduction or valence associated with electrons or holes; ℏ is Planck’s constant, and k is the wave vector. Along the B–M path, the bands have m h * close to 24.73 m 0 , and that is 38.61 m 0 for m e * along the Γ–B directions.…”

“…Therefore, the favorable thermal stability of the structure of (TMA) 2 SbCl 5 ·DMF has been well-verified by combined theory and experiment. The properties that are often studied to infer whether solids can be used in a device are related to the absorption or emission of light . Therefore, on the basis of the stable structure, a series of optical properties, including dielectric function, conductivity, absorption coefficient, reflectivity, reflectivity index, and extinction coefficient, were calculated, as shown in Figure S6.…”

Identification of Potential Optoelectronic Applications for Metal Thiophosphates

“…In this work, the recombination rate in Ag 3 PS 4 was estimated by using the ratio between the hole and electron effective mass, which is 5.96. It should be stressed that this method is a rough approach but may still lead to useful results. ,, A large m h / m e value indicates a great difference of mobility between the holes and electrons and therefore a relatively low recombination rate of electron and hole pairs. ,, Interestingly, Ag 3 PS 4 shows a low recombination rate and small electron effective mass (0.20 m 0 ). Even so, the conductivity type of Ag 3 PS 4 still needs to be determined.…”

“…It should be stressed that this method is a rough approach but may still lead to useful results. 35,57,58 A large m h /m e value indicates a great difference of mobility between the holes and electrons and therefore a relatively low recombination rate of electron and hole pairs. 35,57,58 Interestingly, Ag 3 PS 4 shows a low recombination rate and small electron effective mass (0.20 m 0 ).…”

“…35,57,58 A large m h /m e value indicates a great difference of mobility between the holes and electrons and therefore a relatively low recombination rate of electron and hole pairs. 35,57,58 Interestingly, Ag 3 PS 4 shows a low recombination rate and small electron effective mass (0.20 m 0 ). Even so, the conductivity type of Ag 3 PS 4 still needs to be determined.…”