36 citations · 61 across the 8 of their papers we have counts for
8 papers
Strain-Induced Curvature in Monolayer Graphene: Effects on Electronic Structure, Phonon Dynamics, and Lattice Thermal Conductivity
M. C. Santos, E. Lora da Silva, D. S. Baptista +6
We present a comprehensive set of calculations to investigate the effect of strain-induced x-y topological perturbation in the monolayer graphene sheet. We show that the induced cu…
Pressure-induced hypercoordination of iodine and dimerization of I2O6H in strontium di-iodate hydrogen-iodate (Sr(IO3)2HIO3)
D. Errandonea, H. Osman, R. Turnbull +8
In this work, we report evidence of pressure-induced changes in the crystal structure of Sr(IO3)2HIO3 connected to changes the coordination of the iodine atom and the of the config…
Theoretical study of the stability of the tetradymite-like phases of SbS, BiS, and SbSe
E. Lora da Silva, J. M. Skelton, P. Rodríguez-Hernández +5
We report a comparative theoretical study of the \textit{Pnma} and \textit{R-3m} phases of SbS, BiS, and SbSe close to ambient pressure. Our enthalpy calcul…
GdBO and YBO Nanocrystals under Compression
Robin Turnbull, Daniel Errandonea, Juan Ángel Sans +7
High-pressure X-ray diffraction studies on nanocrystals of the pseudo-vaterite-type borates GdBO and YBO are herein reported up to 17.4(2) and 13.4(2) GPa respectively. The…
-AsTe: Pressure-Induced 3D Dirac Semi-Metal
E. Lora da Silva, A. Leonardo, Tao Yang +5
We report a theoretical \textit{ab-initio} study of -AsTe ( symmetry) at hydrostatic pressures up to 12 GPa. We have systematically characterized the vibratio…
Characterization and decomposition of the natural van der Waals heterostructure SnSb2Te4 under compression
Juan A. Sans, Rosario Vilaplana, E. Lora Da Silva +16
This joint experimental and theoretical study of the structural, vibrational and electrical properties of rhombohedral SnSb2Te4 at high pressure unveils the internal mechanisms of…
Helium ordered trapping in arsenolite under compression: Synthesis of He2As4O6
Juan Angel Sans, Francisco Javier Manjón, Catalin Popescu +8
The compression of arsenolite (cubic As2O3) has been studied from a joint experimental and theoretical point of view. Experimental X-ray diffraction and Raman scattering measuremen…
Pbca-type In2O3: the lost pressure-induced post-corundum phase
Braulio García-Domene, Juan A. Sans, Óscar Gomis +12
Contradictory results of high-pressure studies in cubic bixbyite-type indium oxide (c-In2O3) at room temperature (RT) have motivated us to perform high-pressure powder x-ray diffra…