497 citations · 1.3k across the 11 of their papers we have counts for
11 papers
Predicting BN analogue of 8-16-4 graphyne: \textit{In silico} insights into its structural, electronic, optical, and thermal transport properties
Isaac M. Félix, Jessé M. Pontes, Djardiel S. Gomes +5
The boron nitride (BN) analogue of 8-16-4 graphyne, termed SBNyne, is proposed for the first time. Its physical properties were explored using first-principles calculations and cla…
Origin of ultra-low thermal conductivity in unconventional clathrates: Strong scattering from extremely low-frequency rattling modes
Kamil M. Ciesielski, Brenden R. Ortiz, Lidia C. Gomes +6
Recent discoveries of materials with ultra-low thermal conductivity open a pathway to significant developments in the field of thermoelectricity. Here, we conduct a comparative stu…
Understanding Cu Incorporation in the Structure using Resonant X-ray Diffraction
Ben L. Levy-Wendt, Brenden R. Ortiz, Lìdia C. Gomes +5
The ability to control carrier concentration based on the extent of Cu solubility in the alloy compound (where 0 x 1) makes $\mathrm{…
Electric Field-Tuned Topological Phase Transition in Ultra-Thin Na3Bi - Towards a Topological Transistor
James L. Collins, Anton Tadich, Weikang Wu +11
The electric field induced quantum phase transition from topological to conventional insulator has been proposed as the basis of a topological field effect transistor [1-4]. In thi…
Spatial Charge Inhomogeneity and Defect States in Topological Dirac Semimetal Thin Films
Mark T. Edmonds, James L. Collins, Jack Hellerstedt +5
The close approach of the Fermi energy EF of a Dirac semimetal to the Dirac point ED uncovers new physics such as velocity renormalization,1,2,3 and the Dirac plasma 4,5 at |EF -ED…
Strongly bound Mott-Wannier Excitons in GeS and GeSe monolayers
Lidia C. Gomes, P. E. Trevisanutto, A. Carvalho +2
The excitonic spectra of single layer GeS and GeSe are predicted by ab initio GW-Bethe Salpeter equation calculations. G 0 W 0 calculations for the band structures find a fundament…
Vacancies and oxidation of 2D group-IV monochalcogenides
Lídia C. Gomes, A. Carvalho, A. H. Castro Neto
Point defects in the binary group-IV monochalcogenide monolayers of SnS, SnSe, GeS, GeSe are investigated using density-functional-theory calculations. Several stable configuration…
Enhanced piezoelectricity and modified dielectric screening of 2-D group-IV monochalcogenides
Lídia C. Gomes, A. Carvalho, A. H. Castro Neto
We use first principles calculations to investigate the lattice properties of group-IV monochalcogenides. These include static dielectric permittivity, elastic and piezoelectric te…
Valleytronics in Tin (II) Sulfide
A. S. Rodin, L. C. Gomes, A. Carvalho +1
Tin (II) sulfide (SnS) is a layered mineral found in nature. In this paper, we study the two-dimensional form of this material using a combination of \emph{ab initio} calculation a…
Phosphorene analogues: isoelectronic two-dimensional group-IV monochalcogenides with orthorhombic structure
Lidia C. Gomes, A. Carvalho
The group-IV monochalcogenides SnS, GeS, SnSe and GeSe form a family within the wider group of semiconductor `phosphorene analogues'. Here, we used first principles calculations to…
Stability of extended defects on boron nitride and graphene monolayers: the role of chemical environment
L. C. Gomes, S. S. Alexandre, H. Chacham +1
We perform ab initio calculations that indicate that the relative stability of antiphase boundaries (APB) with armchair and zigzag chiralities in monolayer boron nitride (BN) is de…