Showing 2017 · cond-mat.mtrl-sciShow all

13 papers · 2 filters

cond-mat.mtrl-sci2017★ 6 cited

Molecule signatures in photoluminescence spectra of transition metal dichalcogenides

Maja Feierabend, Gunnar Berghaeuser, Malte Selig +4

Monolayer transition metal dichalcogenides (TMDs) show an optimal surface-to-volume ratio and are thus promising candidates for novel molecule sensor devices. It was recently predi…

cond-mat.mtrl-sci2017★ 116 cited

Exciton Relaxation Cascade in Two-dimensional Transition-metal dichalcogenides

Samuel Brem, Gunnar Berghaeuser, Malte Selig +1

Monolayers of transition-metal dichalcogenides (TMDs) are characterized by an extraordinarily strong Coulomb interaction giving rise to tightly bound excitons with binding energies…

cond-mat.mtrl-sci2017★ 50 cited

New strategy for black phosphorus crystal growth through ternary clathrate

Sheng Li, Xiaoyuan Liu, Xing Fan +7

We are reporting a new synthetic strategy to grow large size black phosphorus (Black-P) crystals through a ternary clathrate SnPI, under lower synthetic tempera…

cond-mat.mtrl-sci2017

Magnetic properties of Ruddlesden-Popper phases SrY(FeNi)O: A combined experimental and theoretical investigation

S. Keshavarz, S. Kontos, D. Wardecki +9

We present a comprehensive study of the magnetic properties of SrY(FeNi)O (). Experimentally, the magnetic properties ar…

cond-mat.mtrl-sci2017★ 315 cited

Photoferroelectric oxides

I. Fina, C. Paillard, B. Dkhil

Giant photovoltaic effect due to bulk photovoltaic effect observed in multiferroic BiFeO3 thin films has triggered a renewed interest on photoferroelectric materials for photovolta…

cond-mat.mtrl-sci2017★ 229 cited

Dark excitons in transition metal dichalcogenides

Ermin Malic, Malte Selig, Maja Feierabend +5

Monolayer transition metal dichalcogenides (TMDs) exhibit a remarkably strong Coulomb interaction that manifests in tightly bound excitons. Due to the complex electronic band struc…

cond-mat.mtrl-sci2017★ 67 cited

Mapping of the dark exciton landscape in transition metal dichalcogenides

Gunnar Berghäuser, Philipp Steinleitner, Philipp Merkl +3

Transition metal dichalcogenides (TMDs) exhibit a remarkable exciton physics including optically accessible (bright) as well as spin- and momentum-forbidden (dark) excitonic states…

cond-mat.mtrl-sci2017★ 96 cited

Suppression of 1/f noise in solid state quantum devices by surface spin desorption

S. E. de Graaf, L. Faoro, J. Burnett +5

Noise and decoherence due to spurious two-level systems (TLS) located at material interfaces is a long-standing issue in solid state quantum technologies. Efforts to mitigate the e…

cond-mat.mtrl-sci2017★ 171 cited

Kohn-Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations

Tuomas P. Rossi, Mikael Kuisma, Martti J. Puska +2

The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles…

cond-mat.mtrl-sci2017★ 36 cited

libvdwxc: A library for exchange-correlation functionals in the vdW-DF family

Ask Hjorth Larsen, Mikael Kuisma, Joakim Löfgren +3

We present libvdwxc, a general library for evaluating the energy and potential for the family of vdW-DF exchange--correlation functionals. libvdwxc provides an efficient implementa…

cond-mat.mtrl-sci2017★ 68 cited

Mechanism of Re precipitation in irradiated W-Re alloys from kinetic Monte Carlo simulations

Chen-Hsi Huang, Leili Gharaee, Yue Zhao +2

High-temperature, high-dose, neutron irradiation of W results in the formation of Re-rich clusters at concentrations one order of magnitude lower than the thermodynamic solubility…

cond-mat.mtrl-sci2017★ 25 cited

Counterintuitive Reconstruction of the Polar O-Terminated ZnO Surface With Zinc Vacancies and Hydrogen

Ryan Jacobs, Bing Zheng, Brian Puchala +3

Understanding the structure of ZnO surface reconstructions and their resultant properties is crucial to the rational design of ZnO-containing devices ranging from optoelectronics t…

cond-mat.mtrl-sci2017★ 22 cited

atomicrex - A general purpose tool for the construction of atomic interaction models

Alexander Stukowski, Erik Fransson, Markus Mock +1

We introduce atomicrex, an open-source code for constructing interatomic potentials as well as more general types of atomic-scale models. Such effective models are required to simu…