“…The experimentally dened energy gap of the SPS crystals is equal to 2.35 eV at room temperature and 2.50 eV at low temperatures. 54,55 In the study of Glukhov et al, 37 the energy gap of the SPS crystal calculated via the DFT/LDA method implemented in the ABINIT soware was determined to be much lower than the abovementioned experimental values (PE E g $1.58 eV, FE E g $1.63 eV). A similar result with the indirect band gap equal to 0.9 eV was achieved by Caracas and Gonze via applying the LDA approximation.…”
Section: Electronic Properties Of the Sn 2 P 2 S 6 Crystalmentioning
The electronic properties of both the ferro and paraelectric phases of the Sn2P2S6 chalcogenide crystal were investigated using first principles methods. The Hubbard correction of the Hamiltonian was applied for this material for the first time.
“…The experimentally dened energy gap of the SPS crystals is equal to 2.35 eV at room temperature and 2.50 eV at low temperatures. 54,55 In the study of Glukhov et al, 37 the energy gap of the SPS crystal calculated via the DFT/LDA method implemented in the ABINIT soware was determined to be much lower than the abovementioned experimental values (PE E g $1.58 eV, FE E g $1.63 eV). A similar result with the indirect band gap equal to 0.9 eV was achieved by Caracas and Gonze via applying the LDA approximation.…”
Section: Electronic Properties Of the Sn 2 P 2 S 6 Crystalmentioning
The electronic properties of both the ferro and paraelectric phases of the Sn2P2S6 chalcogenide crystal were investigated using first principles methods. The Hubbard correction of the Hamiltonian was applied for this material for the first time.
“…1 Earlier, we reported on the transient photocurrents arising in Sn 2 P 2 S 6 films under extrinsic and intrinsic light excitation (hν ≥ E g and hν < E g , E g = 2.4 eV, bandgap energy). [2][3][4] It was demonstrated that illumination of Sn 2 P 2 S 6 films in the absence of an external electric field is accompanied by a turn-on transient current pulse with relaxation. The same effect is observed for the pyroelectric response.…”
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.