Advances in Materials Science and Engineering / 2018 / Article / Tab 2

Research Article

Ab Initio Study of Optoelectronic and Magnetic Properties of Ternary Chromium Chalcogenides

Table 2

Comparison of DFT + U bandgaps with experimental results.

CrystalCalculated gap (eV)Experimental gap (eV)

PCrSe30
SbCrS30.98
SbCrSe30.630.6–0.7 [18]
LaCrS30.20
LaCrSe30.07
CeCrS30
CeCrSe30
GaCrSe31.29
SiCrTe30.400.4 [21]

We are committed to sharing findings related to COVID-19 as quickly as possible. We will be providing unlimited waivers of publication charges for accepted research articles as well as case reports and case series related to COVID-19. Review articles are excluded from this waiver policy. Sign up here as a reviewer to help fast-track new submissions.