95 citations · 336 across the 14 of their papers we have counts for
14 papers
Achieving ultra-high power factor in Sb2Te2Se via valence band convergence
Mohammad Rafiee Diznab, Iraj Maleki Shahrivar, S. Mehdi Vaez Allae +2
An efficient approach to improve the thermoelectric performance of materials is to converge their electronic bands, which is known as band engineering. In this regard, lots of effo…
Thermoelectric Alchemy: Designing A Chemical Analog to PbTe with Intrinsic High Band Degeneracy and Low Lattice Thermal Conductivity
Jiangang He, Yi Xia, S. Shahab Naghavi +2
Improving the figure of merit of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the po…
Designing and discovering a new family of semiconducting quaternary Heusler compounds based on the 18-electron rule
Jiangang He, S. Shahab Naghavi, Vinay I. Hegde +2
Intermetallic compounds with sizable band gaps are attractive for their unusual properties but rare. Here, we present a new family of stable semiconducting quaternary Heusler compo…
Two-Band Strongly Correlated Superconductivity in K p-Terphenyl?
Michele Fabrizio, Tao Qin, S. Shahab Naghavi +1
A new organic superconductor, possibly with formula p-terphenyl, has been discovered by Wang, Gao, Huang and Chen, reaching a very high of about 120~K. Besides a clear…
A critical study of the elastic properties and stability of Heusler compounds: Cubic Co compounds with structure
Shu-Chun Wu, S. Shahab Naghavi, Gerhard H. Fecher +1
Elastic constants and their derived properties of various cubic Heusler compounds were calculated using first-principles density functional theory. To begin with, CuMnAl is use…
A critical study of the elastic properties and stability of Heusler compounds: Phase change and tetragonal compounds
Shu-Chun Wu, S. Shahab Naghavi, Gerhard H. Fecher +1
In the present work, the elastic constants and derived properties of tetragonal and cubic Heusler compounds were calculated using the high accuracy of the full-potential linearized…
Nanoscale orbital excitations and the infrared spectrum of a molecular Mott insulator: A15-CsC
S. Shahab Naghavi, Michele Fabrizio, Tao Qin +1
The quantum physics of ions and electrons behind low-energy spectra of strongly correlated {\it molecular} conductors, superconductors and Mott insulators is poorly known, yet fasc…
High pressure layered structure of carbon disulfide
S. Shahab Naghavi, Yanier Crespo, Roman Martonak +1
Solid CS is superficially similar to CO, with the same molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. W…
Robust Superconductivity in a Two-Band Hubbard-Fr{ö}hlich Model of Alkali Doped Organics
Tao Qin, Michele Fabrizio, S. Shahab Naghavi +1
The damaging effect of strong electron-electron repulsion on regular, electron-phonon %-wave superconductivity is a standard tenet. In spite of that, an increasing number of com…
Crystal structure search and electronic properties of alkali doped phenanthrene and picene
S. Shahab Naghavi, Erio Tosatti
Alkali doped aromatic compounds have shown evidence of metallic and superconducting phases whose precise nature is still mysterious. In potassium and rubidium doped phenanthrene, s…
Electron-doped organics: Charge-disproportionate insulators and Hubbard-Fröhlich metals
S. Shahab Naghavi, Michele Fabrizio, Tao Qin +1
Several examples of metallic electron doped polycyclic aromatic hydrocarbons (PAHs) molecular crystals have recently been experimentally proposed. Some of them have superconducting…
Theoretical Study of New Acceptor and Donor Molecules based on Polycyclic Aromatic Hydrocarbons
S. Shahab Naghavi, Thomas Gruhn, Vajiheh Alijani +9
Functionalized polcyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in which the electronic state of the graphene-like hydrocarbon part is tuned by the func…
A new charge-transfer complex in UHV co-deposited tetramethoxypyrene and tetracyanoquinodimethane
K. Medjanik, S. Perkert, S. Naghavi +11
UHV-deposited films of the mixed phase of tetramethoxypyrene and tetracyanoquinodimethane (TMP1-TCNQ1) on gold have been studied using ultraviolet photoelectron spectroscopy (UPS),…
Influence of antiferromagnetic fluctuations on the pressure dependence of the critical temperature in FeSe
S. Chadov, F. Casper, S. Naghavi +1
This paper has been withdrawn, due a wrong analysis of the obtained results.