Relativistic electronic structure and photovoltaic performance of K₂CsSb

Abstract

We identify K2CsSb as a potential photovoltaic absorber by considering it's optoelectronic properties and maximum theoretical power conversion efficiency.

Thermodynamic stability and vibrational properties of multi-alkali antimonides

“…An interpolated value of 8.88 Å is reported in [73]: although it is not far from our prediction (see table 2), we do not consider it a reliable point of comparison. The structural parameters obtained with SCAN for the ternary alkali antimonides considered in this work are in better agreement with the available experimental references than earlier DFT studies adopting semi-local functionals [17,25,27,28,37,38,46,73].…”

“…The analysis of the produced photocathodes has focused both on their operando performance in accelerators [12][13][14][15][16] as well as on their physical properties [17][18][19]. These experimental efforts have been recently complemented by several theoretical studies aiming at an in-depth understanding of the fundamental characteristics of the materials [20][21][22][23][24][25][26][27][28] and their photoemission performance [29][30][31][32][33].…”