First-principles insight in structure-property relationships of hexagonal Si and Ge polytypes

Authors: Keller, Martin, Belabbes, Abderrezak, Furthmüller, Jürgen, Bechstedt, Friedhelm, Botti, Silvana

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2302.10822

Transitions in Xenes between excitonic, topological and trivial insulator phases: influence of screening, band dispersion and external electric field

Authors: Pulci, Olivia, Gori, Paola, Grassano, Davide, D'Alessandro, Marco, Bechstedt, Friedhelm

Source: SciPost Phys. 15, 025 (2023)

Subject Terms: Condensed Matter - Materials Science, Physics - Computational Physics

Access URL: http://arxiv.org/abs/2301.08601

Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal Si$_x$Ge$_{1-x}$ alloys

Authors: Borlido, Pedro, Bechstedt, Friedhelm, Botti, Silvana, Rödl, Claudia

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2205.12612

Band lineup at hexagonal Si$_x$Ge$_{1-x}$/Si$_y$Ge$_{1-y}$ alloy interfaces

Authors: Belabbes, Abderrezak, Botti, Silvana, Bechstedt, Friedhelm

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2205.03287

Giant optical oscillator strengths in perturbed hexagonal germanium

Authors: Belabbes, Abderrezak, Bechstedt, Friedhelm, Botti, Silvana

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2112.08095

Tuning the optical absorption and exciton bound states of germanene by chemical functionalization.

Authors: Kupchak, Ihor^1,2 (AUTHOR), Bechstedt, Friedhelm³ (AUTHOR), Pulci, Olivia² (AUTHOR), Gori, Paola⁴ (AUTHOR) paola.gori@uniroma3.it

Source: Scientific Reports. 10/24/2024, Vol. 14 Issue 1, p1-10. 10p.

Subject Terms: *ELECTRONIC excitation, *OPTICAL polarization, *ABSORPTION spectra, *HYDROXYL group, *BOUND states

From pseudo-direct hexagonal germanium to direct silicon-germanium alloys

Authors: Borlido, Pedro, Suckert, Jens Renè, Furthmüller, Jürgen, Bechstedt, Friedhelm, Botti, Silvana, Rödl, Claudia

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2105.01980

Efficient strain-induced light emission in lonsdaleite germanium

Authors: Suckert, Jens René, Rödl, Claudia, Furthmüller, Jürgen, Bechstedt, Friedhelm, Botti, Silvana

Source: Phys. Rev. Materials 5, 024602 (2021)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2009.06252

Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction

Authors: Matusalem, Filipe, Matthes, Lars, Furthmüller, Jürgen, Marques, Marcelo, Teles, Lara K., Bechstedt, Friedhelm

Source: Phys. Rev. B 100, 245430 (2019)

Subject Terms: Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1909.11138

Influence of anisotropy, tilt and pairing of Weyl nodes: The Weyl semimetals TaAs, TaP, NbAs and NbP

Authors: Grassano, Davide, Pulci, Olivia, Cannuccia, Elena, Bechstedt, Friedhelm

Subject Terms: Condensed Matter - Materials Science, Physics - Computational Physics

Access URL: http://arxiv.org/abs/1906.12231

Lattice vibrations and electronic properties of GaSe nanosheets from first principles

Authors: Bejani, Mousa, Pulci, Olivia, Barvestani, Jamal, Vala, Ali Soltani, Bechstedt, Friedhelm, Cannuccia, Elena

Source: Phys. Rev. Materials 3, 124003 (2019)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1906.06933

Charge qubit in van der Waals heterostructures

Authors: Lucatto, Bruno, Koda, Daniel S., Bechstedt, Friedhelm, Marques, Marcelo, Teles, Lara K.

Source: Phys. Rev. B 100, 121406 (2019)

Subject Terms: Condensed Matter - Mesoscale and Nanoscale Physics, Quantum Physics

Access URL: http://arxiv.org/abs/1904.10785

Giant excitonic absorption and emission in two-dimensional group-III nitrides

Authors: Prete, Maria Stella, Grassano, Davide, Pulci, Olivia, Kupchak, Ihor, Olevano, Valerio, Bechstedt, Friedhelm

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1903.12031

Accurate electronic and optical properties of hexagonal germanium for optoelectronic applications

Authors: Rödl, Claudia, Furthmüller, Jürgen, Suckert, Jens Renè, Armuzza, Valerio, Bechstedt, Friedhelm, Botti, Silvana

Source: Phys. Rev. Materials 3, 034602 (2019)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1812.01865

Ab initio optical and energy loss spectra of transition metal monopnictides TaAs, TaP, NbAs, and NbP

Authors: Grassano, Davide, Bechstedt, Friedhelm, Pulci, Olivia

Source: Journal of Applied Physics 124, 205110 (2018)

Subject Terms: Condensed Matter - Materials Science, Physics - Computational Physics

Access URL: http://arxiv.org/abs/1804.07505

Dipole Analysis of the Dielectric Function of Colour Dispersive Materials: Application to Monoclinic Ga$_2$O$_3$

Authors: Sturm, Chris, Schmidt-Grund, Rüdiger, Kranert, Christian, Furthmüller, Jürgen, Bechstedt, Friedhelm, Grundmann, Marius

Source: Phys. Rev. B 94, 035148 (2016)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1601.07892

Dielectric tensor of monoclinic Ga$_2$O$_3$ single crystals in the spectral range $0.5 - 8.5\,$eV

Authors: Sturm, Chris, Furthmüller, Jürgen, Bechstedt, Friedhelm, Schmidt-Grund, Rüdiger, Grundmann, Marius

Source: APL Mater. 3, 106106 (2015)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1507.05401

Electronic and Optical Properties of Highly Complex Ga2O3 and In2O3 Polymorphs Using Approximate Quasiparticle DFT + A – 1/2.

Authors: Ribeiro da Silva, Claudio, Bechstedt, Friedhelm, Kühl Teles, Lara, Marques, Marcelo

Source: Journal of Physical Chemistry C; 2/13/2025, Vol. 129 Issue 6, p3179-3198, 20p

Effects of strain on the valence band structure and exciton-polariton energies in ZnO

Authors: Wagner, Markus R., Callsen, Gordon, Reparaz, Juan S., Kirste, Ronny, Hoffmann, Axel, Rodina, Anna V., Schleife, Andre, Bechstedt, Friedhelm, Phillips, Matthew R.

Source: Physical Review B 88, 235210 (2013)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1312.0529

Electronic and optical properties of Cadmium fluoride: the role of many-body effects

Authors: Cappellini, Giancarlo, Furthmüller, Jürgen, Cadelano, Emiliano, Bechstedt, Friedhelm

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1302.2571