List of works - Friedhelm Bechstedt

Ab-initiotheory of semiconductor band structures: New developments and progress

Absolute surface energies of group-IV semiconductors: Dependence on orientation and reconstruction

scholarly article in Physical Review B, vol. 65 no. 11, February 2002

Absorption and Emission of Hexagonal InN. Evidence of Narrow Fundamental Band Gap

Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In 2 O 3

scientific article

Characteristic energies and shifts in optical spectra of colloidal IV-VI semiconductor nanocrystals

Charge transport in guanine-based materials

scientific article published in May 2009

DFT-1/2 method applied to 2D topological insulators: fluorinated and hydrogenated group-IV honeycomb systems

scientific article published on 27 July 2021

Deposition of topological silicene, germanene and stanene on graphene-covered SiC substrates

scientific article

Direct-bandgap emission from hexagonal Ge and SiGe alloys

scientific article published in 2020

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

scholarly article in Physical Review B, vol. 88 no. 23, December 2013

Electronic and optical properties of topological semimetal Cd3As2.

scientific article published on 6 April 2017

Electronic band gap of Si/SiO2 quantum wells: Comparison of ab initio calculations and photoluminescence measurements

article published in 2007

Enhanced Optical Absorption Due to Symmetry Breaking in TiO2(1–x)S2x Alloys

Extreme softening of Vanderbilt pseudopotentials: General rules and case studies of first-row andd-electron elements

scholarly article in Physical Review B, vol. 61 no. 7, February 2000

First-Principles Optical Spectra forFCenters in MgO

scientific article published in Physical Review Letters

Flexible 2D Crystals of Polycyclic Aromatics Stabilized by Static Distortion Waves

scientific article published on 25 March 2016

Free-carrier absorption in nitrides from first principles

article by Emmanouil Kioupakis et al published 2 June 2010 in Physical Review B

Geometry and electronic band structure of surfaces: the case of Ge(111):Sn and C(111)

Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials

scientific article published in January 2004

Guanine crystals: a first principles study

scientific article

Hund's Rule-Driven Dzyaloshinskii-Moriya Interaction at 3d-5d Interfaces ⬇️

scientific article published on 9 December 2016

Influence of on-site Coulomb interactionUon properties of MnO(001)2 × 1 and NiO(001)2 × 1 surfaces ⬇️

scientific article published on February 12, 2013

Linear optical properties in the projector-augmented wave methodology

scholarly article in Physical Review B, vol. 73 no. 4, January 2006

Massive Dirac quasiparticles in the optical absorbance of graphene, silicene, germanene, and tinene

scientific article published on 4 September 2013

Metal-to-Insulator Transition in Au Chains on Si(111)-5×2-Au by Band Filling: Infrared Plasmonic Signal and Ab Initio Band Structure Calculation

scientific article published on 3 September 2015

Metallic Properties of the Si(111) - 5 × 2 - Au Surface from Infrared Plasmon Polaritons and Ab Initio Theory

scientific article published on 20 May 2015

Nonlinear transport in superlattices: Bloch oscillations and Zener breakdown

Optical Properties of Strained Wurtzite Gallium Phosphide Nanowires

scientific article published on 13 May 2016

Optical absorption and emission of α-Sn nanocrystals from first principles

scientific article published on 12 September 2013

Optical spectra of Si nanocrystallites: Bethe-Salpeter approach versus time-dependent density-functional theory

scholarly article in Physical Review B, vol. 78 no. 19, November 2008

Origin of Dirac-cone-like features in silicon structures on Ag(111) and Ag(110)

Phonons at III–V (110) surfaces

Pseudodirect to Direct Compositional Crossover in Wurtzite GaP/InxGa1-xP Core-Shell Nanowires

scientific article published in December 2016

Quasiparticle band structure based on a generalized Kohn-Sham scheme

scholarly article in Physical Review B, vol. 76 no. 11, September 2007

Screening models and simplified GW approaches: Si & GaN as test cases

Structure, energetics, and electronic states of III–V compound polytypes ⬇️

scientific article published on June 19, 2013

The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra

Theoretical optical spectroscopy of complex systems

Theoretical study of the chemical gap tuning in silicon nanowires

scientific article published on 6 July 2007

Tin dioxide from first principles: Quasiparticle electronic states and optical properties

article by A. Schleife et al published 18 January 2011 in Physical Review B

Unit Cell Structure of Crystal Polytypes in InAs and InSb Nanowires

Validity of Weyl fermion picture for transition metals monopnictides TaAs, TaP, NbAs, and NbP from ab initio studies

scientific article published on 23 February 2018

List of works by Friedhelm Bechstedt

Ab-initiotheory of semiconductor band structures: New developments and progress

Absolute surface energies of group-IV semiconductors: Dependence on orientation and reconstruction

Absorption and Emission of Hexagonal InN. Evidence of Narrow Fundamental Band Gap

Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In 2 O 3

Characteristic energies and shifts in optical spectra of colloidal IV-VI semiconductor nanocrystals

Charge transport in guanine-based materials

DFT-1/2 method applied to 2D topological insulators: fluorinated and hydrogenated group-IV honeycomb systems

Deposition of topological silicene, germanene and stanene on graphene-covered SiC substrates

Direct-bandgap emission from hexagonal Ge and SiGe alloys

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

Electronic and optical properties of topological semimetal Cd3As2.

Electronic band gap of Si/SiO2 quantum wells: Comparison of ab initio calculations and photoluminescence measurements

Enhanced Optical Absorption Due to Symmetry Breaking in TiO2(1–x)S2x Alloys

Extreme softening of Vanderbilt pseudopotentials: General rules and case studies of first-row andd-electron elements

First-Principles Optical Spectra forFCenters in MgO

Flexible 2D Crystals of Polycyclic Aromatics Stabilized by Static Distortion Waves

Free-carrier absorption in nitrides from first principles

Geometry and electronic band structure of surfaces: the case of Ge(111):Sn and C(111)

Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials

Guanine crystals: a first principles study

Hund's Rule-Driven Dzyaloshinskii-Moriya Interaction at 3d-5d Interfaces ⬇️

Influence of on-site Coulomb interactionUon properties of MnO(001)2 × 1 and NiO(001)2 × 1 surfaces ⬇️

Linear optical properties in the projector-augmented wave methodology

Massive Dirac quasiparticles in the optical absorbance of graphene, silicene, germanene, and tinene

Metal-to-Insulator Transition in Au Chains on Si(111)-5×2-Au by Band Filling: Infrared Plasmonic Signal and Ab Initio Band Structure Calculation

Metallic Properties of the Si(111) - 5 × 2 - Au Surface from Infrared Plasmon Polaritons and Ab Initio Theory

Nonlinear transport in superlattices: Bloch oscillations and Zener breakdown

Optical Properties of Strained Wurtzite Gallium Phosphide Nanowires

Optical absorption and emission of α-Sn nanocrystals from first principles

Optical spectra of Si nanocrystallites: Bethe-Salpeter approach versus time-dependent density-functional theory

Origin of Dirac-cone-like features in silicon structures on Ag(111) and Ag(110)

Phonons at III–V (110) surfaces

Pseudodirect to Direct Compositional Crossover in Wurtzite GaP/InxGa1-xP Core-Shell Nanowires

Quasiparticle band structure based on a generalized Kohn-Sham scheme

Screening models and simplified GW approaches: Si & GaN as test cases

Structure, energetics, and electronic states of III–V compound polytypes ⬇️

The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra

Theoretical optical spectroscopy of complex systems

Theoretical study of the chemical gap tuning in silicon nanowires

Tin dioxide from first principles: Quasiparticle electronic states and optical properties

Unit Cell Structure of Crystal Polytypes in InAs and InSb Nanowires

Validity of Weyl fermion picture for transition metals monopnictides TaAs, TaP, NbAs, and NbP from ab initio studies