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First-principles investigation of two-dimensional trichalcogenide and sesquichalcogenide monolayers
Debbichi, L.,Kim, H.,Bjö,rkman, T.,Eriksson, O.,Lebè,gue, S. American Physical Society 2016 Physical Review B Vol.93 No.24
<P>We have used density functional theory to investigate the dynamical stability and the electronic structure of several new semiconducting two-dimensional single layers, with chemical compositions such as ABX(3) and A(2)X(3). The calculated interlayer binding energies and the absence of imaginary states in the phonon spectra indicate the possibility to isolate them in the form of a single layer. Also, the calculated band edges reveal that some of these two-dimensional materials are promising candidates for water-splitting applications.</P>
Hong, Ki-Ha,Kim, Jongseob,Debbichi, Lamjed,Kim, Hyungjun,Im, Sang Hyuk American Chemical Society 2017 The Journal of Physical Chemistry Part C Vol.121 No.1
<P>Ternary metal halides (A(3)X(2)I(9)) have attracted considerable interest because they have good:stability and reduced toxicity compared with Pb-based halide perovskites. The main issue with A(3)X(2)I(9) is their band gap, which is relatively large for use in a single junction solar cell (1.9-2.2 eV for the Cs3Bi2I9). This theoretical study found that the band gap of Cs3Bi2I9 can be successfully modulated by using dual metal cations, i.e., by forming. Cs3Bi2I9 (X: trivalent cation). Among the various trivalent atoms, investigated, In and Ga showed very promising band gap modulation behaviors. Additionally, the indirect band gap of Cs3Bi2I9 can be changed into a direct nand gap.</P>
Coherent Lattice Vibrations in Mono- and Few-Layer WSe<sub>2</sub>
Jeong, Tae Young,Jin, Byung Moon,Rhim, Sonny H.,Debbichi, Lamjed,Park, Jaesung,Jang, Yu Dong,Lee, Hyang Rok,Chae, Dong-Hun,Lee, Donghan,Kim, Yong-Hoon,Jung, Suyong,Yee, Ki Ju American Chemical Society 2016 ACS NANO Vol.10 No.5
<P>We report the observation of coherent lattice vibrations in mono- and few-layer WSe2 in the time domain, which were obtained by performing time-resolved transmission measurements. Upon the excitation of ultrashort pulses with the energy resonant to that of A excitons, coherent oscillations of the A(1g) optical phonon and longitudinal acoustic phonon at the M point of the Brillouin zone (LA(M)) were impulsively generated in monolayer WSe2. In multilayer WSe2 flakes, the interlayer breathing mode (B-1) is found to be sensitive to the number of layers, demonstrating its usefulness in characterizing layered transition metal dichalcogenide materials. On the basis of temperature-dependent measurements, we find that the Aig optical phonon mode decays into two acoustic phonons through the anharmonic decay process.</P>