Related papers: Oxygen-vacancy induced magnetic phase transitions …
With the motive of unraveling the origin of native vacancy induced magnetization in ferroelectric perovskite oxide systems, here we explore the consequences of electronic structure modification in magnetic ordering of oxygen deficient…
Materials with a coexistence of magnetic and ferroelectric order (i.e., multiferroics) provide an efficient route for the control of magnetism by electric fields. Unfortunately, a long-sought room temperature multiferroic with strongly…
We propose a model with few parameters, for vacancy-induced ferromagnetism based on a correlated model for anions (oxygen orbitals) with random potentials that represent cation vacancies. There is a range of potential strength for which…
The design of novel multiferroic ABO$_3$ perovskites is complicated by the presence of necessary magnetic cations and ubiquitous antiferrodistortive modes, both of which suppress polar distortions. Using first-principles simulations, we…
Perovskite manganites with small A-site ions, as the first and canonical branch of type-II multiferroics, are ideal systems to exhibit magnetism-induced ferroelectricity. Despite their established magnetoelectric phase diagrams under low…
We investigate the sensitive interplay between magnetic, electronic and structural properties in the ferrimagnetic oxide NiFe2O4. Emphasis is placed on the impact of reduced dimensionality in the crossover from bulk-like to ultrathin films.…
This paper shows that the oxygen vacancies observed experimentally in thin films of LaCoO3 subject to tensile strain are thermodynamically stable according to ab initio calculations. By using DFT calculations, we show that oxygen vacancies…
Vacancy-induced magnetism in graphene bilayers is investigated using spin-polarized density functional theory calculations. One of two graphene layers has a monovacancy. Two atomic configurations for bilayers are considered with respect to…
Multiferroic hexagonal rare-earth ferrites (h-RFeO3, R=Sc, Y, and rare earth), in which the improper ferroelectricity and canted antiferromagnetism coexist, have been advocated as promising candidates to pursue the room-temperature…
Hexagonal LuFeO$_3$ has drawn a lot of research attention due to its contentious room-temperature multiferroicity. Due to the unstability of hexagonal phase in the bulk form, most experimental studies focused on LuFeO$_3$ thin films which…
Antiferromagnets (AFMs) are presently considered as promising materials for applications in spintronics and random access memories due to the robustness of information stored in AFM state against perturbing magnetic fields (P. Wadley et…
Ultrafast optical pump-probe spectroscopy is used to reveal the coexistence of coupled antiferromagnetic/ferroelectric and ferromagnetic orders in multiferroic TbMnO3 films through their time domain signatures. Our observations are…
We study the influence of oxygen vacancies on the formation of charged 180$^\circ$ domain walls in ferroelectric BaTiO$_3$ using first principles calculations. We show that it is favorable for vacancies to assemble in crystallographic…
We study the competition of magneto-dipole, anisotropy and exchange interactions in composite three dimensional multiferroics. Using Monte Carlo simulations we show that magneto-dipole interaction does not suppress the ferromagnetic state…
We extend the concept of conventional multiferroicity \ -- where ferroelectric and ferromagnetic orders coexist \ -- to include multipolar degrees of freedom. Specifically, we explore how this phenomenon emerges in $4d^2/5d^2$ Mott…
A theoretical description of the sequence of magnetic phases in Co3TeO6 is presented. The strongly first-order character of the transition to the commensurate multiferroic ground state, induced by coupled order parameters corresponding to…
Several factors may be responsible for disorder and frustration in a magnetic nanoparticle, including atomic vacancies on the surface and inside, impurity atoms, long-range magnetic exchange coupling, etc. We use Monte-Carlo simulations…
The 2DEG at the LaAlO3/SrTiO3 interface promises to add a new dimension to emerging electronic devices due to its high tunability. Defects in the form of Oxygen vacancies in titanate surfaces and interfaces, on the other hand, play a key…
Multiferroic properties of orthorhombic HoMnO3 (Pbnm space group) are significantly modified by epitaxial compressive strain along the a-axis. We are able to focus on the effect of strain solely along the a-axis by using an YAlO3 (010)…
Density functional calculations are performed to investigate the phase transition in FeRh alloy. The effective exchange coupling, the critical temperature of magnetic phase transition and the adiabatic spin wave spectrum have been obtained.…