Nanophysics

Nanophysics Figure 1
Figure 1: A quantum phase transition, predicted from DFT calculations and originating from stoichiometric changes in one of its composing layers (a large concentration of Sn in the quasihexagonal one) turns franckeite into a strong topologic.

When the characteristic dimensions of a system or a device are shrunk to the nanoscale, their properties change dramatically. The reason for that is that at this scale quantum mechanical effects set in, which leads to novel physical phenomena that, in turn, are often the basis of unforeseen technological applications. One of the main goals of researchers at IFIMAC is the study of the electronic, mechanical, thermal, and optical properties of structures and devices with nanometric dimensions, for which classical laws do not longer apply. For this purpose, we make use of a wide range of nanofabrication techniques, experimental probes, and theoretical tools.

Nanophysics Figure 2
Figure 2: (b-d) Computed heating/cooling effect in the molecular junctions formed by gold electrodes and prototypical molecules(Au–biphenyl-4,4′-dithiol–Au, Au–terphenyl-4,4′ ′ -dithiol–Au and Au–4,4′ -bipyridine–Au). The transmission (a) and its derivative at EF determine the electrical conductance and the Seebeck coefficient of the molecular junctions. From Nat. Nanotechnol, 13, 122 (2018).

Some of our main activities in the field of Nanophysics are related to the theoretical and experimental study of novel low-dimensional systems such as graphene and graphene-based nanostructures. Antimonene, a single layer of antimony atoms, was firstly obtained at IFIMAC. This 2D material is attracting much attention due to its strong spin-orbit coupling and its potential in optoelectronics, thermoelectric applications, and biomedicine. This work was the result of an internal theoretical-experimental collaboration at IFIMAC, whose researchers are world leaders in this topic.

Making use of experimental techniques such as Angle Resolved Photoemission Spectroscopy (ARPES) or Low Energy Electron Diffraction (LEED), IFIMAC researchers also investigate topics like 2D structural phase transitions, surface charge density waves, or the electronic structure of laterally nanostructured systems. Furthermore, we study the growth and properties of nanometer-scale objects on solid surfaces with applications in spintronics, optoelectronics, magnetic recording, nanoscale catalysis, nanomechanical biosensing, medical nanoimaging, etc.

IFIMAC researchers work actively in 2D materials and heterostructures, and its associated topological properties. Recently, they have predicted, on the basis of DFT, a quantum phase transition in franckeite (Figure 1), originating from stoichiometric changes in one of its composing layers (the quasihexagonal one). Franckeite is a natural superlattice composed of two alternating layers of different composition, easy to exfoliate into very thin heterostructures and which has shown potential for optoelectronic applications. Not surprisingly, its chemical composition and lattice structure are so complex that franckeite has escaped screening protocols and high-throughput searches of materials with nontrivial topological properties. Now, it has been predicted that, while for a large concentration of Sb, franckeite is a sequence of type-II semiconductor heterojunctions, for a large concentration of Sn, these turn into type-III, much alike InAs/GaSb artificial heterojunctions, and franckeite becomes a strong topological insulator. Transmission electron microscopy observations confirm that such a phase transition may actually occur in nature.

Nanophysics Figure 3
Figure 3 Spin-Orbit Splitting of Andreev States Revealed by Microwave Spectroscopy. The circuit includes an InAs nanowire enclosed by a superconducting aluminum loop. The spin state of a single electron in the nanowire has a measurable impact on the electrical properties of the circuit. From Phys. Rev. X 9, 011010 (2019).

Other important areas of expertise in our center are the fields of Nanoelectronics and Quantum Transport. In particular, in recent years researchers at IFIMAC have played a leading role in the understanding of the electronic transport in a great variety of nanoscale systems such as metallic atomic-size contacts, single-molecule junctions, superconducting hybrid structures, or strongly correlated low-dimensional systems. The study of thermoelectricity in molecular junctions is of fundamental interest for the development of various technologies including cooling (refrigeration) and heat-to-electricity conversion. IFIMAC researchers have developed theoretical methods, based on self-energy-corrected density functional theory calculations, to characterize the electrical and thermoelectric properties of molecular junctions (Figure 2).

Nanophysics Figure 4
Figure 4: Grain Boundary (GB) magnetism induces Yu–Shiba–Rusinov states in superconducting graphene. From Advanced Materials 33, 2008113 (2021).

Within the area of nanoelectronics, our groups are currently developing a strong theoretical/experimental activity on hybrid superconducting devices. This work ranges from the understanding of their basic transport properties to their potential application for quantum information processing using microwave techniques of the so-called Andreev qubits. The qubit is based on a circuit that consists of a submicron indium arsenide (InAs) nanowire enclosed by a superconducting aluminum loop (Figure 3). Discrete localized states, known as “Andreev bound states,” form in the nanowire as a result of coupling to the superconductor. When absorption of a photon induces a transition between two of these states, the loop inductance changes. The absorption spectrum of the circuit can be measured by monitoring the resulting frequency shift of a microwave resonator inductively coupled to the loop. The spectrum shows a fine structure of spin-split Andreev states, well accounted for by a simple model with spin-orbit coupling as the key ingredient.

A very important topic in our center is also the use and modeling of Scanning Probe Microscopes (SPMs). Atomic Force Microscopy (AFM) is being currently used for the study of the mechanical, electrical and frictional properties of low-dimensional materials. Another key subject is the use of cryogenic Scanning Tunneling Microscopy (STM) and Spectroscopy (STS) for the surface characterization of semiconductor and superconductor nanostructures. One recent example involves the first observation of Yu–Shiba–Rusinov (YSR) states in graphene (Figure 4). Superconductivity in graphene is induced by proximity effect brought by adsorbing nanometer-scale superconducting Pb islands. Using STM and STS the superconducting proximity gap is measured and YSR states are visualized, extending more than 20 nm away from the graphene grain boundaries. These observations provide the long-sought experimental confirmation that graphene grain boundaries host local magnetic moments and constitute the first observation of YSR states in a chemically pure system. From a theoretical point of view, IFIMAC researchers are among the worldwide leaders in the area of ab initio modeling of nanowires and SPMs.