Related papers: Magnetism and Antiferroelectricity in MgB$_6$
Altermagnetism has been recently experimentally verified by photoemission mapping of the spin order in momentum space in MnTe and CrSb, which feature two anisotropic sublattices with antiparallel magnetic dipole moments. In this work, we…
We analyze the coupling between the ferroelectric and magnetic order parameters in the magnetoelectric multiferroic BiFeO_3 using density functional theory within the local spin density approximation and the LSDA+U method. We show that weak…
Superconductivity arises in the layered iron-pnictide compounds when magnetic long range order disappears. We use first principles density functional methods to study magnetic arrangements that may compete with long range order near the…
We report intrinsic ferromagnetism in monolayer electrides or electrenes, in which excess electrons act as anions. Our first-principles calculations demonstrate that magnetism in such electron-rich two-dimensional (2D) materials originates…
We develop a comprehensive theory for magnetoelectricity in magnetically ordered quasi-2D systems whereby in thermal equilibrium an electric field can induce a magnetization $m$ and a magnetic field can induce a polarization. This effect…
We report the electronic structure and magnetic ordering of the single molecule magnet [Mn$_{10}$O$_{4}$(2,2'-biphenoxide)$_{4}$Br$_{12}$]$^{4-}$ based on first-principles all-electron density-functional calculations. We find that two of…
The electronic structure of the neutral and singly charged Mg vacancy in MgO is investigated using density functional theory. For both defects, semilocal exchange correlation functionals such as the local spin density approximation…
In this work, we investigate intrinsic magnetic properties of monolayer electrides LaBr$_{2}$ and La$_{2}$Br$_{5}$, where excess electrons do not reside at any atomic orbital and act as anions located at interstitial regions. Having…
The question of how ferroelectric polarization is coupled to magnetism in magnetoelectric multiferroics, in which both types of order are simultaneously present, is of considerable scientific and practical interest. A recent Letter…
Magneto-electric multiferroics exemplified by TbMnO3 possess both magnetic and ferroelectric long-range order. The magnetic order is mostly understood, whereas the nature of the ferroelectricity has remained more elusive. Competing models…
Experimental evidence of the magnetic resonance in the antiferro-quadrupole phase of CeB6 is reported. We have shown that below orbital ordering temperature a new magnetic contribution from localized magnetic moments (LMM) emerge and gives…
We investigate the influence of impurities and vacancies in the formation of magnetic moment in CaB6 using full potential ab initio band structure calculations. CaB6 is found to be a band insulator with a band gap of about 0.2 eV. The…
We theoretically investigate an antiferromagnetic structure in a hexagonal zigzag-chain compound Ce$_3$TiBi$_5$, which shows a linear magnetoelectric effect in metals and an unfamiliar temperature dependence of magnetic susceptibility. We…
We report on the structural and magnetic properties of single and double atomic layers of Mn on a clean and unreconstructed Nb(110) substrate. Low-temperature scanning tunneling spectroscopy measurements reveal a proximity-induced…
Multiferroics, where two or more ferroic order parameters coexist, is one of the hottest fields in condensed matter physics and materials science[1-9]. However, the coexistence of magnetism and conventional ferroelectricity is physically…
Based on ab initio density functional theory, we have investigated a microscopic mechanism that leads to Fe$^{2+}_{B}$/Fe$^{3+}_{B}$ dimerization and consequent ferroelectricity in charge ordered Fe$_{3}$O$_{4}$ with $P2$ symmetry. In…
EuB6 is a low carrier density ferromagnet which exhibits large magnetoresistance, positive or negative depending on temperature. The formation of magnetic polarons just above the magnetic critical temperature has been suggested by spin-flip…
VOCl and other transition metal oxychlorides are candidate materials for next-generation rechargeable batteries. We have investigated the influence of the underlying magnetic order on the crystallographic and electronic structure by means…
The experimentally observed ferromagnetism in MgB2 in the normal state is attributed to micro phase separated inclusions of iron. This magnetic character is also observed when the iron content of the samples is reduced below 20 micro-g/g,…
Within Landau theory, magnetism and polarity are homotopic, displaying a one-to-one correspondence between most physical characteristics. However, despite widely reported noncollinear magnetism, spontaneous noncollinear electric dipole…