Related papers: Non-equilibrium spin-crossover in copper phthalocy…
We investigate the spectral evolution in different metal phthalocyanine molecules on NbSe$_2$ surface using scanning tunnelling microscopy (STM) as a function of the coupling with the substrate. For manganese phthalocyanine (MnPc), we…
Triplet excitonic state in the organic molecule may arise from a singlet excitation and the following inter-system crossing. Especially for a spin-bearing molecule, an exchange interaction between the triplet exciton and the original spin…
Molecular spin qubits are promising candidates for quantum technologies, but their performance is limited by decoherence arising from diverse mechanisms. The complexity of the environment makes it challenging to identify the main source of…
In this paper, we introduce a new kind of spin switch based on a joint system of copper phthalocyanine (CuPc) and C59N. Using density functional theory, we investigate the total magnetic moment of this system when gradually changing the…
Molecular spin systems are promising candidates for quantum information processing and nanoscale sensing, yet their characterization at room temperature remains challenging due to fast spin decoherence. In this work, we use $T_1$…
We investigate the changes in the electronic structure of copper phthalocyanine (CuPc) crystals that is caused by intercalation with potassium. This is done by means of {\it ab initio} LSDA and LSDA+U calculations of the electronic…
Spin-orbit interaction affects the band structure of topological insulators beyond the opening of an inverted gap in the bulk bands, and the understanding of its effects on the surface states is of primary importance to access the…
Ambipolar charge carrier transport in Copper phthalocyanine (CuPc) is studied experimentally in field-effect transistors and metal-insulator-semiconductor diodes at various temperatures. The electronic structure and the transport properties…
In this work, the effect of uniaxial pressure along the c axis on the electronic structure of the HTSC cuprate La2-xSrxCuO4 is investigated at the doping levels x = 0.1, 0.15, 0.25. The GTB method within the five-band p-d model framework is…
The effect of magnetic STM-tip on electronic, magnetic and electronic transport properties through the molecule junction STM-tip-Co/CoPc/Co(111), has been investigated by mean of ab initio electronic structure calculations. The spin…
We study the switching behavior of two spin-crossover molecules residing in a nanojunction device consisting of two closely spaced gold electrodes. The spin states are monitored through a real-time measurement of the resistance of the…
The interplay of exchange correlations and spin-orbit interaction (SOI) on the many-body spectrum of a copper phtalocyanine (CuPc) molecule and their signatures in transport are investigated. We first derive a minimal model Hamiltonian in a…
The Hamiltonian for nanocones with curvature induced spin orbit coupling have been derived. The effect of curvature induced spin orbit coupling on the electronic properties of graphitic nanocones is considered. Energy spectra for different…
We report an advanced organic spin-interface architecture with magnetic remanence at room temperature, constituted by metal phthalocyanine molecules magnetically coupled with Co layer(s), mediated by graphene. Fe- and Cu-phthalocyanines…
We investigate equilibrium and transport properties of a copper phthalocyanine (CuPc) molecule adsorbed on Au(111) and Ag(111) surfaces. The CuPc molecule has essentially three localized orbitals close to the Fermi energy resulting in…
We investigate electron interferometry of edge states in Topological Insulators. We show that, when inter-boundary coupling is induced at two quantum point contacts of a four terminal setup, both Fabry-P\'erot-like and Aharonov-Bohm-like…
Spin-bearing molecules can be stabilized on surfaces and in junctions with desirable properties such as a net spin that can be adjusted by external stimuli. Using scanning probes, initial and final spin states can be deduced from…
Spin ice systems represent a prime example of constrained spin systems and exhibit rich low-energy physics. In this study, we explore how introducing a tunable anisotropic spin coupling to the conventional Ising spin ice Hamiltonian on the…
Since the prediction of a new topological state of matter in graphene, materials acting as topological insulators have attracted wide attention. Shortly after the theoretical proposal for a mercury telluride (HgTe)-based two-dimensional…
Recent experiments showed that Co undergoes a phase transition from ferromagnetic hcp phase to non-magnetic fcc one around 100 GPa. Since the transition is of first order, a certain region of co-existence of the two phases is present. By…