Related papers: Physical properties of the tetragonal CuMnAs: a fi…
In the framework of density functional theory, the structural and magnetic properties of Fe$_{100-x}$Al$_x$ alloys (${5 \leq x \leq 25}$~at.\%) with the different structural order are investigated. Using the Korringa-Kohn-Rostoker Green's…
This study investigates Mn-Zn ferrites (nominal composition \ce{Mn_{0.5}Zn_{0.5}Fe2O4}, MZF) substituted with tetravalent (\ce{Si^{4+}}), trivalent (\ce{Co^{3+}}), and divalent (\ce{Ca^{2+}}, \ce{Mg^{2+}}, \ce{Sn^{2+}}) ions. We…
High-resolution transmission electron microscopy and superconducting quantum interference device magnetometry shows that epitaxial CuMnSb films exhibit a coexistence of two magnetic phases, coherently intertwined in nanometric scales. The…
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential energy as a function of atomic positions. The data can come…
Metal-organic frameworks show both fundamental interest and great promise for applications in adsorption-based technologies, such as the separation and storage of gases. The flexibility and complexity of the molecular scaffold poses a…
Non-collinear antiferromagnets, with either an L1$_{2}$ cubic crystal lattice (e.g. Mn$_{3}$Ir and Mn$_{3}$Pt) or a D0$_{19}$ hexagonal structure (e.g. Mn$_{3}$Sn and Mn$_{3}$Ge), exhibit a number of novel phenomena of interest to…
Understanding heat transport in semiconductors and insulators is of fundamental importance because of its technological impact in electronics and renewable energy harvesting and conversion. Anharmonic Lattice Dynamics provides a powerful…
The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…
We investigate the transport properties of neutral, fermionic atoms passing through a one-dimensional quantum wire containing a mesoscopic lattice. The lattice is realized by projecting individually controlled, thin optical barriers on top…
Here we present a magnetic thin film with a weak ferrimagnetic (FIM) phase above the N\'eel temperature ($T_{N}$ = 240 K) and a non-collinear antiferromagnetic (AFM) phase below, exhibiting a small net magnetisation due to strain-associated…
We performed Monte Carlo simulations in a bilayer system composed by two thin films, one ferromagnetic (FM) and the other antiferromagnetic (AFM). Two lattice structures for the films were considered: simple cubic (sc) and a body center…
We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed' tetragonal and orthorhombic regions of the temperature-pressure phase diagram and find properties that distinguish CaFe2As2…
By analyzing vortex lattices, re-entrant Cooper pairing and Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) states in a single theoretical framework we explore how vortices and spin textures join to protect superconductivity against large magnetic…
Antiferromagnets (AFMs) are strong candidates for the future spintronic and memory applications largely because of their inherently fast dynamics and lack of stray fields, with Mn2Au being one of the most promising. For the numerical…
The magnetic properties of antiferromagnetic (AFM) EuTe epitaxial layers and short period EuTe/PbTe superlattices (SLs), grown by molecular beam epitaxy on (111) BaF$_2$ substrates, were studied by magnetization and neutron diffraction…
This work demonstrates a first-principles-based approach to obtaining finite temperature thermal and electronic transport properties which can be employed to model and understand mesoscale structural evolution during electronic, magnetic,…
We consider the $XY$ model with ferromagnetic (FM) and antinematic (AN) nearest-neighbor interactions on a square lattice for a varying interaction strength ratio. Besides the expected FM and AN quasi-long-range order (QLRO) phases we…
We study the physical properties of MnAs under strain by using accurate first-principles pseudopotential calculations. Our results provide new insight on the physics of strained multilayer that are grown epitaxially on different lattice…
Exchange interactions in {\alpha}- and {\gamma}-Fe are investigated within an ab-initio spin spiral approach. We have performed total energy calculations for different magnetic structures as a function of lattice distortions, related with…
Temperature dependent transport measurements on ultrathin antiferromagnetic Mn films reveal a heretofore unknown non-universal weak localization correction to the conductivity which extends to disorder strengths greater than 100 k$\Omega$…