Directional shift current in mirror-symmetric BC_{2}N

Autor: Julen Ibañez-Azpiroz, Ivo Souza, Fernando de Juan

Publikováno v: Physical Review Research, Vol 2, Iss 1, p 013263 (2020)

We present a theoretical study of the shift current in a noncentrosymmetric polytype of graphitic BC_{2}N. We find that the photoconductivity near the fundamental gap is strongly anisotropic due to the vanishing of particular tensor components not fo

Externí odkaz: https://doaj.org/article/bb3e8ecfe36c4022b9fbd4f11c2ed9b1

Assessing the role of interatomic position matrix elements in tight-binding calculations of optical properties

Autor: Julen Ibañez-Azpiroz, Fernando de Juan, Ivo Souza

Publikováno v: SciPost Physics, Vol 12, Iss 2, p 070 (2022)

We study the role of hopping matrix elements of the position operator $\mathbf{\hat{r}}$ in tight-binding calculations of linear and nonlinear optical properties of solids. Our analysis relies on a Wannier-interpolation scheme based on \textit{ab

Externí odkaz: https://doaj.org/article/b5834a897e2d419c80811db6f263341a

Ab initio study of the nonlinear optical properties and d.c. photocurrent of the Weyl semimetal TaIrTe$_4$

Autor: Álvaro R. Puente-Uriona, Stepan S. Tsirkin, Ivo Souza, Julen Ibañez-Azpiroz

We present a first principles theoretical study employing nonlinear response theory to investigate the d.c. photocurrent generated by linearly polarized light in the type-II Weyl semimetal TaIrTe4. We report the low energy spectrum of several nonline

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::953a4cacc322aa3ee05c51500172f115

Mirror Chern numbers in the hybrid Wannier representation

Autor: Ivo Souza, David Vanderbilt, Thomas Olsen, Tomáš Rauch

Publikováno v: Rauch, T, Olsen, T, Vanderbilt, D & Souza, I 2021, ' Mirror Chern numbers in the hybrid Wannier representation ', Physical Review B, vol. 103, no. 19, 195103 . https://doi.org/10.1103/PhysRevB.103.195103
Digital.CSIC. Repositorio Institucional del CSIC
instname

The topology of electronic states in band insulators with mirror symmetry can be classified in two different ways. One is in terms of the mirror Chern number, an integer that counts the number of protected Dirac cones in the Brillouin zone of high-sy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::acdf14399ae9fd9ef8d4de70808e4e5a
https://doi.org/10.1103/physrevb.103.195103

Quadrupole moments, edge polarizations, and corner charges in the Wannier representation

Autor: Shang Ren, David Vanderbilt, Ivo Souza

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname

The modern theory of polarization allows for the determination of the macroscopic end charge of a truncated one-dimensional insulator, modulo the charge quantum e, from a knowledge of bulk properties alone. A more subtle problem is the determination

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc25e00cda768b8fbf6ccc55c9f57591
http://hdl.handle.net/10261/264383