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20092026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

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5 papers · 1 filter

cond-mat.mes-hall2024★ 1 cited

Control of 2D plasmons in the topological insulator Bi2Se3 with highly crystalline C60 overlayers

Mairi McCauley, Lida Ansari, Farzan Gity +8

Topological Insulators (TIs) present an interesting materials platform for nanoscale, high frequency devices because they support high mobility, low scattering electronic transport…

cond-mat.mes-hall2020★ 33 cited

Plasmons in MoS2 Studied via Experimental and Theoretical Correlation of Energy Loss Spectra

Eoin Moynihan, Stefan Rost, Eoghan O'Connell +3

Two dimensional materials offer a path forward for smaller and more efficient devices. Their optical and electronic properties give way to beat the limits set in place by Moore's L…

cond-mat.mes-hall2018★ 1 cited

Spin-orbit effects at chiral surfaces

N. K. Lewis, P. J. Durham, W. R. Flavell +1

Two-dimensional hexagonal and oblique lattices were investigated theoretically with the aim of observing differences in the spin expectation values between chiral and achiral syste…

cond-mat.mes-hall2017★ 18 cited

Frontier molecular orbitals of single molecules adsorbed on thin insulating films supported by a metal substrate: A simplified density functional theory approach

Ivan Scivetti, Mats Persson

We present a simplified density functional theory (DFT) method to com- pute vertical electron and hole attachment energies to frontier orbitals of molecules absorbed on insulating…

cond-mat.mes-hall2012★ 152 cited

Direct Experimental Evidence of Metal-Mediated Etching of Suspended Graphene

Quentin M. Ramasse, Recep Zan, Ursel Bangert +3

Atomic resolution high angle annular dark field imaging of suspended, single-layer graphene, onto which the metals Cr, Ti, Pd, Ni, Al and Au atoms had been deposited was carried ou…