ELIE ALBERT MOUJAESS
@unir.br
Physics
Federal university of Rondonia
During my doctoral studies, I analyzed the cooperative Jahn-Teller effect (CJT) arising from coupling between different JT centers. My doctoral thesis was entitled "Intermolecular Vibronic Interactions in Fullerene Anions". I continued working on the CJT effect (as a postdoctoral fellow in Nottingham from 2007 to 2009), during which I showed that the CJT between two JT centers could be modeled as a tension (tension) acting on only one JT center.
I moved to Brazil in 2009. At this point, my research interests shifted to electronic structure theory (DFT), phonon calculations and stability, electron-phonon coupling, magnetism, and superconductivity. I am a professor (Adjunct IV level) at the Department of Physics at the Federal University of Rondônia in Porto Velho. I'm a member of the Brazilian Society of Physics and the INCT nanocarbono:
EDUCATION
1- Bachelor's degree in Physics from the Lebanese University (LU) in 1999.
2- Master's degree in Theoretical Physics from the American University of Beirut (AUB) in 2003.
3- Ph.D. in Theoretical Condensed Matter Physics from the University of Nottingham, England (2007).
RESEARCH, TEACHING, or OTHER INTERESTS
Condensed Matter Physics
Scopus Publications
Scholar Citations
Scholar h-index
Scholar i10-index
Scopus Publications
Jigneshkumar B. Barot, Elie A. Moujaes, Sanjeev K. Gupta, and P.N. Gajjar
Elsevier BV
W.A. Diery, Ohoud K. Alharbi, and Elie A. Moujaes
Elsevier BV
Alexandre C. Dias, Raphael M. Tromer, Humberto R. Gutiérrez, Douglas S. Galvão, and Elie A. Moujaes
American Chemical Society (ACS)
We have investigated the Raman spectrum and excitonic effects of the novel 2D Ta2Ni3Te5 structure. The monolayer is an indirect band gap semiconductor with an electronic band gap value of 0.09 and 0.38 eV, determined using GGA-PBE and HSE06 exchange-correlation functionals, respectively. Since this structure is energetically, dynamically, and mechanically stable, it could be synthesized as a free-standing material. We identify 10 Raman- and 10 infrared-active modes for various laser energies, including those commonly used in Raman spectroscopy experiments. It was also observed that the contribution of Ni atoms is minimal in most Raman vibrational modes. In contrast, most infrared vibrational modes do not involve the vibration of the Ta atoms. As far as the optical properties are concerned, this monolayer shows a robust linear anisotropy, an exciton binding energy of 287 meV, and a high reflectivity in the ultraviolet region, which is more intense for linear light polarization along the x direction.
Dhara Raval, Elie A. Moujaes, Sanjeev K. Gupta, and P.N. Gajjar
Elsevier BV
Elie A. Moujaes and Antoine Khater
Elsevier BV
Elie A Moujaes and W A Diery
IOP Publishing
Abstract We theoretically investigate the stability of a MoS2 nanochain, reporting its electronic, mechanical, and optical properties. The nanochain presents a semiconductor structure with a minute band gap of 67m eV compared to the larger gap bulk and monolayer structures. It is more malleable, enduring a maximum compressive (tensile) strain of 6% (6.5%). It is dynamically stable, showing no negative frequencies along its Brillouin zone (BZ) path. The nanochain is thermally stable at 300K, making it possible to synthesize as a freestanding structure. The optical properties of the bulk, monolayer, and 1D MoS2 materials are evaluated using the time-dependent density functional perturbation theory (TDDFPT) and compared to those determined via the independent particle approximation (IPA). Along the nanochain’s periodic x direction, the reflectivity retains a maximum value of ∼68% in the infrared (IR) region. Furthermore, its optical conductivity also exhibits a peak within the IR regime. These two features make such nanochains suitable as coating materials in applications involving infrared radiation or can even be exploited as conductive substrates in near-IR devices.
Raphael M. Tromer, L.A. Ribeiro Júnior, Douglas S. Galvão, Alexandre C. Dias, and Elie A. Moujaes
Elsevier BV
Anuradha Sharma, Naveen Kumar, W.A. Diery, Elie A. Moujaes, Anuj Mittal, Pardeep Singh, and Shankar Sharma
Elsevier BV
Elie A. Moujaes and Alexandre C. Dias
Elsevier BV
Anuradha Sharma, Shankar Sharma, Naveen Kumar, W.A. Diery, Elie A. Moujaes, Muhammad Tahir, and Pardeep Singh
Elsevier BV
Elie A. Moujaes, W.A. Diery, and Arwa Albar
Elsevier BV
Elie A. Moujaes, W.A. Diery, and Arwa Albar
Elsevier BV
Dhara Raval, Elie A. Moujaes, Sanjeev K. Gupta, and P.N. Gajjar
Elsevier BV
Elie A. Moujaes and W. A. Diery
Springer Science and Business Media LLC
Elie A. Moujaes and W.A. Diery
Elsevier BV
W.A. Diery and Elie.A. Moujaes
Elsevier BV
Elie A. Moujaes and W.A. Diery
Elsevier BV
Lamia Saim, Elie A. Moujaes, Antoine Khater, and Rachid Tigrine
Elsevier BV
Elie A Moujaes and W A Diery
IOP Publishing
In this paper, we investigate the stability and thermoelectric properties of 1 T PdSSe, PdSTe and PdSeTe Janus structures using density functional theory (DFT). All three systems are narrow gap semiconductors with indirect bandgaps of 0.94 eV, 0.33 eV and 0.34 eV respectively. Compared to transition metal dichalcogenide (TMD) monolayers, PdS2 and PdSe2 are semiconductors with wider indirect bandgaps of 1.29 eV and 0.69 eV respectively. Phonon dispersion calculations demonstrate that all pristine and Janus structures are mechanically stable despite the presence of negligible negative frequencies around the point in PdSTe and PdSeTe. Inspection of the lattice thermal conductivity () shows that these structures are slightly anisotropic in the x and y directions except for PdSe2 which shows a higher degree of anisotropy. Influenced by the values of , the thermal electronic conductivity (), the electronic conductivity () and the Seebeck effect (S), the figure of merit along the x (ZTxx)and y (ZTyy) directions register the largest values in the case of electron doping for the PdSe2 and PdSeTe 2D crystals. Interestingly, the figures of merit of the Janus structures are larger than their corresponding pristine PdX2 (X = S, Se) structures. Once synthesized, such information is crucial for the implementation of the PdXY (Y = Se, Te) structures in industrial applications.
Elie A. Moujaes, A. Khater, M. Abou Ghantous, and V. Ashokan
Elsevier BV
W.A. Diery, Elie A. Moujaes, and R.W. Nunes
Elsevier BV
Elie A. Moujaes, L.V. Aguiar, and M. Abou Ghantous
Elsevier BV
S.L. Nogueira, S.K. Sahoo, T. Jarrosson, F. Serein-Spirau, J.-P. Lère-Porte, E.A. Moujaes, A. Marletta, A.P. Santos, C. Fantini, C.A. Furtado,et al.
Elsevier BV
Elie A. Moujaes, A. Khater, and M. Abou Ghantous
Elsevier BV
Raphael Longuinhos, Elie Albert Moujaes, Simone Silva Alexandre, and R. W. Nunes
American Chemical Society (ACS)
We investigate the electronic structure and lattice stability of pristine and functionalized (with either hydrogen or oxygen) $\\alpha$-graphyne systems. We identify lattice instabilities due to soft-phonon modes, and describe two mechanisms leading to gap opening in the Dirac-fermion electronic spectrum of these systems: symmetry breaking, connected with the lattice instabilities, and partial incorporation of an $sp^3$-hybrid character in the covalent-bonding network of a buckled hydrogenated $\\alpha$-graphyne lattice that retains the symmetries of the parent pristine $\\alpha$-graphyne. In the case of an oxygen-functionalized $\\alpha$-graphyne structure, each O atom binds asymmetrically to two twofold-coordinated C atoms, breaking inversion and mirror symmetries, and leading to the opening of a sizeable gap of 0.22 eV at the Dirac point. Generally, mirror symmetries are found to suffice for the occurrence of gapless Dirac cones in these $\\alpha$-graphyne systems, even in the absence of inversion symmetry centers. Moreover, we analyze the gapless and gapped Dirac cones of pristine and functionalized $\\alpha$-graphynes from the perspective of the dispersion relations for massless and massive free Dirac fermions. We find that mirror-symmetry breaking mimics a Dirac-fermion mass-generation mechanism in the oxygen-functionalized $\\alpha$-graphyne, leading to gap opening and to isotropic electronic dispersions with a rather small electron-hole asymmetry. In the hydrogen-functionalized case, we find that carriers show a remarkable anisotropy, behaving as massless fermions along the M-K line in the Brillouin zone and as massive fermions along the $\\Gamma$-K line.