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Spectrally Programmable Spin-Polarized Photocurrents in WSe-NiPS Magnetic van der Waals Heterostructures
Rajesh Kumar Yadav, Michal Poplinger, Adi Levi +6
Efficient generation and control of spin-polarized currents in semiconductors remain central challenges for spin-based electronics, particularly due to impedance mismatch and the r…
Localized Exciton Emission with Spontaneous Circular Polarization in NiPS3/WSe2 Heterostructures
Adi Harchol, Shahar Zuri, Rajesh Kumar Yadav +7
Two-dimensional (2D) van der Waals (vdW) heterostructures (HSs) provide a versatile platform for tailoring electronic, optical, and magnetic properties via proximity effects at the…
Designer metal-free altermagnetism in honeycomb two-dimensional frameworks
Hongde Yu, Thomas Brumme, Thomas Heine
Altermagnetism combines momentum-dependent spin splitting of opposite-spin channels with zero net magnetization, enabling electric-field control of spin transport that is robust ag…
Crystal Anisotropy Implications on the Magneto-Optical Properties of van der Waals FePS3
Ellenor Geraffy, Kusha Sharma, Shahar Zuri +10
Antiferromagnetic FePS3 has recently gained significant interest in its potential applications in spin-related devices. Here, we show that in-plane structural anisotropy has a majo…
Spin injection and emission helicity switching in a 2D perovskite/WSe2 heterostructure
Jakub Jasinski, Francesco Gucci, Thomas Brumme +16
The initialization and control of a long-lived spin population in lead halide perovskites are prerequisites for their use in spintronic applications. Here, we demonstrate circular…
Engineering Altermagnetism via Layer Shifts and Spin Order in Bilayer MnPS
J. W. González, T. Brumme, E. Suárez Morell +1
Altermagnetic materials combine compensated magnetic order with momentum-dependent spin splitting, offering a fundamentally new route for spintronic functionality beyond convention…
Hybrid d/p-wave altermagnetism in CaRuO and strain-controlled spin splitting
Andrea León, Carmine Autieri, Thomas Brumme +1
The interplay of strong electronic correlations, sizable octahedral distortions, and pronounced spin-orbit coupling (SOC) makes perovskite oxides promising candidates for realizing…
Change in Magnetic Order in NiPS3 Single Crystals Induced by a Molecular Intercalation
Nirman Chakraborty, Adi Harchol, Azhar Abu-Hariri +8
Intercalation is a robust method for tuning the physical properties of a vast number of van der Waals (vdW) materials. However, the prospects of using intercalation to modify magne…
Emergence of non-uniform strain induced exciton species in homo- and heterobilayer transition metal dichalcogenides
Mohammadreza Daqiqshirazi, Thomas Brumme
Full control of excitons in 2D materials is an important step to exploit them for applications. Straintronics is one method that can be used to effectively control the movement of…
Funneling and spin-orbit coupling in transition-metal dichalcogenide nanotubes and wrinkles
Mohammadreza Daqiqshirazi, Thomas Brumme
Strain engineering provides a powerful means to tune the properties of two-dimensional materials. Accordingly, numerous studies have investigated the effect of bi- and uniaxial str…
Edge conductivity in PtSe nanostructures
Roman Kempt, Agnieszka Kuc, Thomas Brumme +1
PtSe is a promising 2D material for nanoelectromechanical sensing and photodetection in the infrared regime. One of its most compelling features is the facile synthesis at temp…
Electron Holographic Mapping of Structural and Electronic Reconstruction at Mono- and Bilayer Steps of h-BN
Subakti Subakti, Mohammadreza Daqiqshirazi, Daniel Wolf +7
Here, by making use of medium and high resolution autocorrected off-axis electron holography, we directly probe the electrostatic potential as well as in-plane and out-of-plane cha…
Stacking polymorphism in PtSe drastically affects its electromechanical properties
Roman Kempt, Sebastian Lukas, Oliver Hartwig +8
PtSe is one of the most promising materials for the next generation of piezoresistive sensors. However, the large-scale synthesis of homogeneous thin films with reproducible el…
Electronic Structures of Two-Dimensional PC6-Type Materials
Maximilian A. Springer, Thomas Brumme, Agnieszka Kuc +1
Two-dimensional (2D) materials may exhibit intriguing band structure features (e.g., Dirac points), that lay far away from the Fermi level. They are, thus, not usable in applicatio…
Artificial Relativistic Molecules
Jae Whan Park, Hyo Sung Kim, Thomas Brumme +2
We fabricate artificial molecules composed of heavy atom lead on a van der Waals crystal. Pb atoms templated on a honeycomb charge-order superstructure of IrTe2 form clusters rangi…
Anomalous Interlayer Exciton Diffusion in Twist-Angle-Dependent Moiré Potentials of WS-WSe Heterobilayers
Long Yuan, Biyuan Zheng, Jens Kunstmann +7
The nanoscale periodic potentials introduced by moiré patterns in semiconducting van der Waals (vdW) heterostructures provide a new platform for designing exciton superlattices. To…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
Visualizing the spin of individual molecules
C. Iacovita, M. V. Rastei, B. W. Heinrich +4
Low-temperature spin-polarized scanning tunneling microscopy is employed to study spin transport across single Cobalt-Phathalocyanine molecules adsorbed on well characterized magne…