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Heterointerfaces in complex oxide systems open new arenas in which to test models of strongly correlated material, explore the role of dimensionality in metal-insulator-transitions (MITs) and small polaron formation. Close to the quantum…
When complex mechanisms are involved, pinpointing high-performance materials within large databases is a major challenge in materials discovery. We focus here on phonon-limited conductivities, and study 2D semiconductors doped by field…
Density functional theory calculations are used to systematically investigate the structural and electronic properties of MX$_2$ transition metal dichalcogenide monolayers with M = Cr, Mo, W and X = S, Se, Te that are doped with single (V,…
The coexistence and competition of superconductivity and magnetism can lead to a variety of rich physics and technological applications. Recent discovery of atomic-layer superconductors and self-assembly of magnetic molecules on solid…
The phase diagram of diluted magnetic semiconductor quantum wells is investigated. The interaction between the carriers in the hole gas can lead to first order ferromagnetic transitions, which remain abrupt in applied fields. These…
Half-metallic antiferromagnets are the ideal materials for spintronic applications since their zero magnetization leads to lower stray fields and thus tiny energy losses. Starting from the Mn$_2$VAl and Mn$_2$VSi alloys we substitute Co or…
The understanding of the interplay between different orders in a solid is a key challenge in highly correlated electronic systems. In real systems this is even more difficult since disorder can have a strong influence on the subtle balance…
We present data on the electrical transport properties of highly-doped silicon-on-insulator quantum dots under the effect of pulsed magnetic fields up to 48 T. At low field intensities, B<7 T, we observe a strong modification of the…
The role of various magnetic inter-chain couplings has been investigated recently by numerical methods in doped frustrated quantum spin chains. A non-magnetic dopant introduced in a gapped spin chain releases a free spin-1/2 soliton. The…
Single spin qubits based on phosphorus donors in silicon are a promising candidate for a large-scale quantum computer. Despite long coherence times, achieving uniform magnetic control remains a hurdle for scale-up due to challenges in…
We present a comprehensive investigation of the magnetic ordering in biphenylene network (BPN) layers, employing density functional theory (DFT) calculations under external perturbations, including uniaxial strains and hole doping. We…
Density functional theory calculations are used to show that it is possible to dope semiconducting transition metal dichalcogenides (TMD) such as MoS$_2$ and WS$_2$ with electrons and/or holes either by chemical substitution or by…
The properties of a dilute Ising magnet are studied using a two-dimensional spin-pseudospin model with charged impurities and a frustration caused by the competition of the charge and magnetic orderings. Based on the classical Monte Carlo…
We discuss the phase diagram of the two-orbital model of half-doped manganites by calculating self-consistently the Jahn-Teller (JT) distortion patterns, charge, orbital and magnetic order at zero temperature. We analyse the instabilities…
We propose a spin valve device based on the interplay of a modulated spin-orbit interaction and a uniform external magnetic field acting on a quantum wire. Half-metal phases, where electrons with only a selected spin polarization exhibit…
We investigate magnetic properties of lightly doped antiferromagnetic Mott insulators in the presence of non-magnetic impurities. Within the framework of the t-J model we calculate the doping dependence of the antiferromagnetic order…
Two-dimensional (2D) transition metal dichalcogenides (TMDs) such as molybdenum disulfide (MoS2) have been intensively investigated because of their exclusive physical properties for advanced electronics and optoelectronics. In the present…
A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materials. Its application to a model system borophene reveals an…
Electron- and hole-doped La$_2$CoMnO$_6$(LCMO) are investigated using first principles DFT calculations. Hole and electron doping are achieved respectively by introducing Sr$^{2+}$ at La$^{3+}$ sites and by inducing O-site vacancies in…
Monolayer graphene with an energy gap presents a pseudospin symmetry broken ferromagnet with a perpendicular pseudomagnetization whose direction is switched by altering the type of doping between n and p. We demonstrate an electrical…