Friedhelm Bechstedt

发表

Organic-Metal Interface: Adsorption of Cysteine on Au(110) from First Principles

B. Höffling, Frank Ortmann, Karsten Hannewald, 2010, High Performance Computing in Science and Engineering.

Defining and Analysing the Optical Properties of Materials at the Nanoscale: A Collection of Thoughts, Opinions, Ideas and Data that Have Matured Over Years on Exploiting Ellipsometry for a Range of Characterisation Needs

Tatiana Novikova, Herbert Wormeester, Maria Losurdo, 2010 .

Finite-size modelling of electrodes for quantum transport calculations using k-space ab initio techniques

Karsten Hannewald, Friedhelm Bechstedt, Björn Oetzel, 2010, Comput. Phys. Commun..

DFT studies using supercells and projector‐augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine

Karsten Hannewald, Friedhelm Bechstedt, R. Maul, 2007, J. Comput. Chem..

Anomalous Water Optical Absorption: Large-Scale First-Principles Simulations

Friedhelm Bechstedt, Andreas Hermann, Wolf Gero Schmidt, 2007, HiPC 2007.

Cysteine on Gold: An ab-initio Investigation

B. Höffling, Karsten Hannewald, Friedhelm Bechstedt, 2011, High Performance Computing in Science and Engineering.

Real-structure effects: Absorption edge of MgxZn1-xO, CdxZn1-xO, and n-type ZnO from ab-initio calculations

Friedhelm Bechstedt, Andre Schleife, F. Bechstedt, 2012, OPTO.

Ab-initio Characterization of Electronic Properties of PbTe Quantum Dots Embedded in a CdTe Matrix

Friedhelm Bechstedt, Roman Leitsmann, 2010, High Performance Computing in Science and Engineering.

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

Friedhelm Bechstedt, Jürgen Furthmüller, Martin Preuss, 2004, J. Comput. Chem..

Quantum-kinetic theory of hot luminescence from pulse-excited semiconductors

Karsten Hannewald, Friedhelm Bechstedt, S. Glutsch, 2002, SPIE OPTO.

Quantum Confined Stark Effect in Embedded PbTe Nanocrystals

Friedhelm Bechstedt, Frank Ortmann, R. Leitsmann, 2008, High Performance Computing in Science and Engineering.

Ab initio description of quasiparticle band structures and optical near-edge absorption of transparent conducting oxides

Friedhelm Bechstedt, Andre Schleife, F. Bechstedt, 2012 .

Properties of hexagonal polytypes of group-IV elements from first-principles calculations

Friedhelm Bechstedt, Jürgen Furthmüller, F. Bechstedt, 2002 .

Understanding reflectance anisotropy: Surface-state signatures and bulk-related features

Friedhelm Bechstedt, Jerry Bernholc, Wolf Gero Schmidt, 2000 .

Anisotropy of the dielectric function for wurtzite InN

Oliver Ambacher, Volker Cimalla, Friedhelm Bechstedt, 2004 .

Band Gap of Hexagonal InN and InGaN Alloys

Akio Yamamoto, Hiroshi Harima, D. A. Kurdyukov, 2002 .

Phonons in ternary group-III nitride alloys

Friedhelm Bechstedt, Ch. Schnittler, F. Bechstedt, 2000 .

Second-harmonic polarizability including electron-hole attraction from band-structure theory

Friedhelm Bechstedt, Wolf Gero Schmidt, P. H. Hahn, 2005 .

EfficientO(N2)method to solve the Bethe-Salpeter equation

Friedhelm Bechstedt, Wolf Gero Schmidt, P. H. Hahn, 2003 .

Phase separation, gap bowing, and structural properties of cubic InxAl1-xN

Friedhelm Bechstedt, Lara K. Teles, Jürgen Furthmüller, 2002 .

Optical properties of two-dimensional honeycomb crystals graphene, silicene, germanene, and tinene from first principles

Friedhelm Bechstedt, Olivia Pulci, F. Bechstedt, 2014 .

An efficient method for calculating quasiparticle energies in semiconductors

Lucia Reining, Friedhelm Bechstedt, Giancarlo Cappellini, 1992 .

Many-Body Approach to Electronic Excitations: Concepts and Applications

Friedhelm Bechstedt, F. Bechstedt, 2016 .

Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy: ab initio predictions

Frank Fuchs, Friedhelm Bechstedt, Wenchang Lu, 2004 .

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

Friedhelm Bechstedt, Jürgen Furthmüller, F. Bechstedt, 2002 .

Raman spectra of isotopic GaN

Oliver Ambacher, Martin Stutzmann, Friedhelm Bechstedt, 1997 .

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

Georg Kresse, Friedhelm Bechstedt, F. Bechstedt, 2000 .

Interplay of excitonic effects and van Hove singularities in optical spectra: CaO and AlN polymorphs

Frank Fuchs, Friedhelm Bechstedt, Rüdiger Goldhahn, 2011 .

Reconstruction of quasi-one-dimensional In ∕ Si ( 111 ) systems: Charge- and spin-density waves versus bonding

Friedhelm Bechstedt, Jürgen Furthmüller, F. Bechstedt, 2006 .

The electron-optical phonon interaction in semiconductor microstructures

Friedhelm Bechstedt, F. Bechstedt, H Gerecke, 1992 .

Origin of electron accumulation at wurtzite InN surfaces

Friedhelm Bechstedt, Jürgen Furthmüller, Christopher McConville, 2004 .

First-principles optical spectra for F centers in MgO.

Friedhelm Bechstedt, Matthias Scheffler, Patrick Rinke, 2012, Physical review letters.

Branch-point energies and band discontinuities of III-nitrides and III-/II-oxides from quasiparticle band-structure calculations

Frank Fuchs, Friedhelm Bechstedt, Andre Schleife, 2009 .

Polytypism and Properties of Silicon Carbide

Friedhelm Bechstedt, Jürgen Furthmüller, F. Bechstedt, 1997 .

LATTICE DYNAMICS OF GAN : EFFECTS OF 3D ELECTRONS

Friedhelm Bechstedt, F. Bechstedt, K. Karch, 1997 .

Cubic inclusions in hexagonal AlN, GaN, and InN: Electronic states

Friedhelm Bechstedt, Andre Schleife, F. Bechstedt, 2011 .

Ab initio theory of native defects in alloys: application to charged N vacancies in AlxGa1-xN

Friedhelm Bechstedt, Jürgen Furthmüller, L. E. Ramos, 2002 .

Optical and energy-loss spectra of MgO, ZnO, and CdO from ab initio many-body calculations

Frank Fuchs, Friedhelm Bechstedt, Andre Schleife, 2009 .

Surface phase diagram of (24) and (42) reconstructions of GaAs(001)

Friedhelm Bechstedt, Wolf Gero Schmidt, F. Bechstedt, 2000 .

Infrared absorbance of silicene and germanene

Friedhelm Bechstedt, Paola Gori, Olivia Pulci, 2012 .

Vacancies in SiC: Influence of Jahn-Teller distortions, spin effects, and crystal structure

Friedhelm Bechstedt, Jürgen Furthmüller, F. Bechstedt, 1999 .

Energy gap and optical properties of InxGa1–xN

Oliver Ambacher, Friedhelm Bechstedt, V. Yu. Davydov, 2003 .

Phase diagram, chemical bonds, and gap bowing of cubic InxAl1−xN alloys: Ab initio calculations

Friedhelm Bechstedt, Lara K. Teles, J. R. Leite, 2002 .

Nonequilibrium theory of photoluminescence excitation spectroscopy in semiconductors

Karsten Hannewald, Friedhelm Bechstedt, S. Glutsch, 2003 .

Properties of strained wurtzite GaN and AlN: Ab initio studies

Friedhelm Bechstedt, F. Bechstedt, J. Wagner, 2002 .

Semiempirical van der Waals correction to the density functional description of solids and molecular structures

Friedhelm Bechstedt, Wolf Gero Schmidt, Frank Ortmann, 2006 .

Direct experimental determination of the spontaneous polarization of GaN

Oliver Brandt, Achim Trampert, Friedhelm Bechstedt, 2012, 1201.4294.

Towards Quantum Structures in SiC

Friedhelm Bechstedt, Ulrike Grossner, Andreas Fissel, 2002 .

Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO

Frank Fuchs, Friedhelm Bechstedt, Jürgen Furthmüller, 2009 .

Strain Modification of GaN in AlGaN/GaN Epitaxial Films

Isamu Akasaki, Friedhelm Bechstedt, Hiroshi Amano, 1999 .

Strong excitons in novel two-dimensional crystals: Silicane and germanane

Friedhelm Bechstedt, Paola Gori, Olivia Pulci, 2012 .

Calculation of surface optical properties: from qualitative understanding to quantitative predictions

Friedhelm Bechstedt, Wenchang Lu, Jerry Bernholc, 2004 .

Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites

Elena Degoli, Friedhelm Bechstedt, Stefano Ossicini, 2007 .

Phase separation suppression in InGaN epitaxial layers due to biaxial strain

Klaus Lischka, Friedhelm Bechstedt, Donat Josef As, 2002 .

STACKING FAULTS IN GROUP-IV CRYSTALS : AN AB INITIO STUDY

Friedhelm Bechstedt, Jürgen Furthmüller, F. Bechstedt, 1998 .

Gap bowing and Stokes shift in InxGa1−xN alloys: First-principles studies

Friedhelm Bechstedt, Jürgen Furthmüller, F. Bechstedt, 2002 .

Band Gap of InN and In-Rich InxGa1?xN alloys (0.36 < x < 1)

Akio Yamamoto, Hiroshi Harima, Eugene E. Haller, 2002 .

High-precision determination of atomic positions in crystals: The case of 6 H - and 4 H -SiC

Friedhelm Bechstedt, Jürgen Furthmüller, K. Goetz, 1998 .

Charge transport in guanine-based materials.

Karsten Hannewald, Friedhelm Bechstedt, Frank Ortmann, 2009, The journal of physical chemistry. B.

Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics

Friedhelm Bechstedt, Wolf Gero Schmidt, P. H. Hahn, 2005 .

Universality of electron accumulation at wurtzite c- and a-plane and zinc-blende InN surfaces

P. Schley, Frank Fuchs, Klaus Lischka, 2007 .

Optical properties of semiconductors using projector-augmented waves

Friedhelm Bechstedt, F. Bechstedt, J. Furthmüller, 2001 .

Terrace and step contributions to the optical anisotropy of Si(001) surfaces

Friedhelm Bechstedt, Jerry Bernholc, Wolf Gero Schmidt, 2001 .

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

Hiroshi Harima, Friedhelm Bechstedt, V. Yu. Davydov, 2002 .

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

Heinrich Kurz, Bernd Spangenberg, Friedhelm Bechstedt, 2007 .

Phenanthrenequinone adsorbed on Si(001): geometries, electronic properties, and optical response.

Friedhelm Bechstedt, Andreas Hermann, Wolf G Schmidt, 2005, The journal of physical chemistry. B.