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18 papers
MIM-Diode-Like Rectification in Lateral 1T/1H/1T-MoS Homojunctions via Interfacial Dipole Engineering
Elias Eckmann, Ersoy Şaşıoğlu, Nicki F. Hinsche +1
Lateral two-dimensional (2D) tunnel diodes that reproduce metal-insulator-metal (MIM)-diode-like rectification without using dissimilar contacts are attractive for scalable nanoele…
Quantum Spin Hall Phase in the Truncated Trihexagonal Lattice: A Topological Archimedean Structure
L. V. Duc Pham, Nicki F. Hinsche, Ingrid Mertig
Archimedean lattices constitute a unique family of two-dimensional tilings formed from regular polygons arranged with uniform vertex configurations. While the kagome and snub squar…
Multifunctional steep-slope spintronic transistors with spin-gapless-semiconductor or spin-gapped-metal electrodes
Ersoy Şaşıoğlu, Paul Bodewei, Nicki F. Hinsche +1
Spin-gapless semiconductors (SGSs) are a promising class of materials for spintronic applications, enabling functions beyond conventional electronics. This study introduces a novel…
Electron-phonon coupling in single-layer MoS2
Sanjoy K. Mahatha, Arlette S. Ngankeu, Nicki Frank Hinsche +15
The electron-phonon coupling strength in the spin-split valence band maximum of single-layer MoS is studied using angle-resolved photoemission spectroscopy and density function…
The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals
Sten Haastrup, Mikkel Strange, Mohnish Pandey +12
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around…
Electron-phonon interaction and transport properties of metallic bulk and monolayer transition metal dichalcogenide TaS
Nicki Frank Hinsche, Kristian Sommer Thygesen
Transition metal dichalcogenides have recently emerged as promising two-dimensional materials with intriguing electronic properties. Existing calculations of intrinsic phonon-limit…
Electron-phonon coupling in the spin-split valence band of single layer WS
Nicki Frank Hinsche, Arlette S. Ngankeu, Kevin Guilloy +15
The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single layer transition metal dichalchogenides such as MoS…
Phonon limited thermoelectric transport in Pb
Florian Rittweger, Nicki Frank Hinsche, Ingrid Mertig
We present a fully ab initio based scheme to compute transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron-phonon interaction. The…
Impact of the Topological Surface State on the Thermoelectric Transport in SbTe Thin Films
Nicki F. Hinsche, Sebastian Zastrow, Johannes Gooth +7
Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type SbTe films are presente…
Signature of the topological surface state in the thermoelectric properties of BiTe
F. Rittweger, N. F. Hinsche, P. Zahn +1
We present ab initio electronic structure calculations based on density functional theory for the thermoelectric properties of BiTe films. Conductivity and thermopower are…
Lorenz function of BiTe/SbTe superlattices
N. F. Hinsche, I. Mertig, P. Zahn
Combining first principles density functional theory and semi-classical Boltzmann transport, the anisotropic Lorenz function was studied for thermoelectric BiTe/Sb$_{2}…
Thermoelectric transport in superlattices
N. F. Hinsche, B. Yu. Yavorsky, M. Gradhand +6
The thermoelectric transport properties of superlattices are analyzed on the basis of first-principles calculations and semi-classica…
Thermoelectric transport in strained Si and Si/Ge heterostructures
N. F. Hinsche, I. Mertig, P. Zahn
The anisotropic thermoelectric transport properties of bulk silicon strained in [111]-direction were studied by detailed first-principles calculations focussing on a possible enhan…
Electronic structure and transport anisotropy of Bi2Te3 and Sb2Te3
B. Y. Yavorsky, N. F. Hinsche, P. Zahn +1
On the basis of detailed ab initio studies the influence of strain on the anisotropy of the transport distribution of the thermoelectrics BiTe and SbTe was investig…
Influence of strain on anisotropic thermoelectric transport of BiTe and SbTe
N. F. Hinsche, B. Yu. Yavorsky, I. Mertig +1
On the basis of detailed first-principles calculations and semi-classical Boltzmann transport, the anisotropic thermoelectric transport properties of BiTe and SbTe…
: Implications of the rhombohedral k-space texture on the evaluation of the in-plane/out-of-plane conductivity anisotropy
Peter Zahn, Nicki F. Hinsche, Bogdan Y. Yavorsky +1
Different computational scheme for calculating surface integrals in anisotropic Brillouin zones are compared. The example of the transport distribution function (plasma frequency)…
Effect of strain on the thermoelectric properties of silicon: An ab initio study
Nicki F. Hinsche, Ingrid Mertig, Peter Zahn
On the basis of detailed first-principles calculations the anisotropic thermoelectric transport properties of biaxially strained silicon were studied with focus on a possible enhan…
Strong influence of the complex bandstructure on the tunneling electroresistance: A combined model and ab-initio study
N. F. Hinsche, M. Fechner, P. Bose +4
The tunneling electroresistance (TER) for ferroelectric tunnel junctions (FTJs) with BaTiO_{3} (BTO) and PbTiO}_{3} (PTO) barriers is calculated by combining the microscopic electr…