Related papers: Strongly correlated altermagnet CaCrO$_3$
Altermagnetism refers to a wide class of magnetic orders featuring magnetic sublattices with opposite spins related by rotational symmetries, resulting in non-trivial spin splitting and magnetic multipoles. However, the direct observation…
We report on the microscopic model of the recently synthesized one-dimensional quantum magnet (NO)Cu(NO3)3. Applying density functional theory band structure calculations, we obtain a leading antiferromagnetic exchange coupling J ~ 200 K,…
First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…
Recently, a novel collinear magnet, i.e. the altermagnet (AM), with spin-splitting energy band and zero net magnetization have attracted great interest due to its potential spintronic applications. Here, we demonstrate AM-like phases in a…
Altermagnets recently came into the spotlight as a new class of magnetic materials, arising as a consequence of specific crystal symmetries. They are characterized by a spin-polarized electronic band structure similar to ferromagnets, but…
Gaining growing attention in spintronics is a class of magnets displaying zero net magnetization and spin-split electronic bands called altermagnets. Here, by combining density functional theory and symmetry analysis, we show that RuF$_4$…
Altermagnetism, a new phase of collinear spin-order sharing similarities with antiferromagnets and ferromagnets, has introduced a new guiding principle for spintronic/thermoelectric applications due to its direction-dependent magnetic…
The electronic structure and magnetic properties of the strongly correlated material La$_2$O$_3$Fe$_2$Se$_2$ are studied by using both the density function theory plus $U$ (DFT+$U$) method and the DFT plus Gutzwiller (DFT+G) variational…
This PhD thesis conducts a focused study of strongly correlated materials with localized electron orbitals. We have studied two real materials (LuNiO$_3$ and VO$_2$) and one model system, i.e., the Anderson impurity model. The thesis is…
With density functional theory plus dynamical mean-field theory, we study the influence of Hund's coupling on the nature of electronic correlations in $\mathrm{Sr_2CoO_4}$. Our results suggest strong signatures of Hund's metal physics in…
By employing a combined method of density functional theory and dynamical mean field theory (DFT+DMFT) we investigate the effect of electronic correlations on the magnetic and superconducting properties of the iron-based parent compound…
We report density functional calculations addressing the electronic structure and magnetic properties of delafossite PdCrO2. We find substantial magnetic interactions in the c-axis direction as well as beyond first nearest neighbors…
We investigated complex magnetic properties of multifunctional LaCrO3-LaFeO3 system. The magnetic measurements substantiate the presence of competing complex magnetic ordering against temperature, showing paramagnetic to ferrimagnetic…
Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…
Delafossite PdCrO$_2$ is an intriguing material which displays nearly-free electron and Mott insulating behaviour in different layers. Both angle-resolved photoemission spectroscopy (ARPES) and Compton scattering measurements have…
Nonsymmorphic symmetries can give rise to Dirac semimetal (DSM) states. However, few studies have been conducted on DSMs in interacting systems. Here, we induce interacting DSM states in nonsymmorphic iridium oxides SrIrO$_3$, BaIrO$_3$ and…
The phase diagram of the Kondo lattice Hamiltonian with ferromagnetic Hund's coupling in the limit where the spin of the localized $t_{2g}$ electrons is classical is analyzed in one dimension as a function of temperature, electronic…
Kagome metal CsV$_3$Sb$_5$ has attracted much recent attention due to the coexistence of multiple exotic orders and the associated proposals to mimic unconventional high temperature superconductors. Nevertheless, magnetism and strong…
Dynamical mean-field theory is used to study the three orbital model of the $d^3$ compound SrRu$_2$O$_6$ both with and without explicitly including the O-$p$ states. Depending on the size of the Hund's coupling $J$, at low to intermediate…
Ac and dc magnetization and heat-capacity (C) measurements performed on the pseudo-one-dimensional compound Sr$_3$CuIrO$_6$ reveal a competition between antiferromagnetic (AF) and ferromagnetic (F) exchange couplings, as evidenced by…