Related papers: Magnetic Electrides: High-Throughput Material Scre…
Recent discoveries, as well as open questions, in experimentally realized correlated electron materials are reviewed. In particular, high temperature superconductivity in the cuprates and in the recently discovered iron pnictides, possible…
Magnetic oxyselenides have been the topic of research for several decades being first of interest in the context of photoconductivity and thermoelectricity owing to their intrinsic semiconducting properties and ability to tune the energy…
Altermagnets are a recently discovered class of magnetic materials that combine a collinear, zero-magnetization spin structure, characteristic of antiferromagnets, with spin-split electronic bands, a hallmark of ferromagnets. This unique…
We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our investigation yielded around 50 systems with transition…
The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for thermoelectrics and transparent conductors.…
A material that reveals two or more ferroelectric properties at the same time is called multiferroic materials. The most commonly multiferroic materials shows ferroelectricity and ferromagnetism property within a single phase. Accordingly…
High energy electron irradiation is an efficient way to create vacancy-interstitial Frenkel pairs in crystal lattice, thereby inducing controlled non-magnetic point - like scattering centers. In combination with London penetration depth and…
While hydrogen-rich materials have been demonstrated to exhibit high T$_c$ superconductivity at high pressures, there is an ongoing search for ternary and quaternary hydrides that achieve such high critical temperatures at much lower…
Because of their loosely bound electrons, electrides offer physical properties useful in chemical synthesis and electronics. For these applications and others, nano-sized electrides offer advantages, but to-date no electride has been…
Multiferroics are those materials with more than one ferroic order, and magnetoelectricity refers to the mutual coupling between magnetism and electricity. The discipline of multiferroicity has never been so highly active as that in the…
Intermetallic compounds containing f-electron elements display a wealth of superconducting phases, that are prime candidates for unconventional pairing with complex order parameter symmetries. For instance, superconductivity has been found…
The link between crystal and electronic structure is crucial for understanding structure-property relations in solid-state chemistry. In particular, it has been instrumental in understanding topological materials, where electrons behave…
Magnetic topological insulators and semi-metals have a variety of properties that make them attractive for applications including spintronics and quantum computation, but very few high-quality candidate materials are known. In this work, we…
Two-dimensional (2D) materials combined with the presence of surface nearly-free electrons (NFE) have been considered quite interesting platforms to be exploited for the development of 2D electronic devices. Further incorporation of foreign…
A combination of Scanning Tunneling Microscopy/Spectroscopy and Density Functional Theory (DFT+U) is used to characterize excess electrons in TiO$_2$ rutile and anatase, two prototypical materials with identical chemical composition but…
The current energy transition imposes a rapid implementation of energy storage systems with high energy density and eminent regeneration and cycling efficiency. Metal hydrides are potential candidates for generalized energy storage, when…
For the last years spin effects in semiconductors have been of great interest not only in the context of solid state physics, but also for their potential usage in technology. In this paper we give a short review of spintronic materials, in…
We performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 structures with formation energies…
We briefly overview the importance of Hubbard and Anderson-lattice models as applied to explanation of high-temperature and heavy-fermion superconductivity. Application of the models during the last two decades provided an explanation of…
New hard magnetic materials with zero or low rare earth content are in demand due to the high prices of the rare earth metals. Among the candidates for such materials, we consider MnB, FeB and their alloys, because previous experiments…