Related papers: Towards an understanding of CMR pyrochlore Tl2Mn2O…
We present electronic structure calculations for the one-dimensional magnetic chain compounds Ca_3CoRhO_6 and Ca_3FeRhO_6. The calculations are based on density functional theory and the local density approximation. We use the augmented…
We performed susceptibility, magnetization, specific heat, and single crystal neutron diffraction measurements on single crystalline BaMn$_2$Si$_2$O$_7$. Based on the results, we revisited its spin structure with a more accurate solution…
We present magnetization and Hall effect measurements on the pyrochlore iridate Nd2Ir2O7. Previous muon spin rotation measurements have shown that the system undergoes an unusual transition at T$_M$ = 110 K into a magnetic phase lacking…
The Co2V2O7 is recently reported to exhibit amazing magnetic field-induced magnetization plateaus and ferroelectricity, but its magnetic ground state remains ambiguous due to its structural complexity. Magnetometry measurements, and…
Infrared magnetic circular dichloism (MCD), or equivalently magneto-optical Kerr effect, has been measured on the Tl2Mn2O7 pyrochlore, which is well known for exhibiting a large magnetoresistance around the Curie temperature T_C ~ 120 K. A…
Half metallic ferromagnetic compounds (HMF) are intensively explored for their potential in spintronics application. According to theoretical studies, HMF are those materials where the conduction mechanism is due to one type of spin state,…
The pyrochlore insulator Yb2Ti2O7 has attracted the attention of experimentalists and theoreticians alike for about 15 years. Conflicting neutron diffraction data on the possible existence of magnetic Bragg reflections at low temperature…
Geometry, electronic structure, and magnetic properties of TMNan (TM=Cr-Ni; n = 4-7) clusters are studied within a gradient corrected density functional theory (DFT) framework. Two complementary approaches, the first adapted to all-electron…
By means of density functional theory plus dynamical mean-field theory (DFT+DMFT), we investigate the correlated electronic structures of La$_3$Ni$_2$O$_7$ under high pressure. Our calculations show that La$_3$Ni$_2$O$_7$ is a multi-orbital…
The transfer matrix method (TMM) is widely used to analyze the transport properties of one-dimensional or quasi-one-dimensional systems, such as nanostructures and layered materials in spintronics. However, its application in quantifying…
Spin-band splitting is a hallmark of altermagnetism, intrinsically linked to magnetic ordering driven by electron correlations. However, recent inconsistencies in the detection of altermagnetism in strongly correlated altermagnet candidates…
Strong electron-electron interaction can induce Mott insulating state, which is believed to host unusual correlated phenomena such as quantum spin liquid when quantum fluctuation dominates and unconventional superconductivity through…
We present a comprehensive first-principles study of the structural and elastic properties of 2H-MX$_2$ transition metal dichalcogenides (TMDs) (M = W, Mo, Ta, Nb; X = S, Se). Using density functional theory with various van der Waals…
Electron-electron interactions are at the origin of many exotic electronic properties of materials which have emerged from recent experimental observations. The main important phenomena discovered are related with electronic magnetic…
We perform combined density functional and dynamical mean-field calculations to study the pyrochlore iridates Lu$_2$Ir$_2$O$_7$, Y$_2$Ir$_2$O$_7$ and Eu$_2$Ir$_2$O$_7$. Both single-site and cluster dynamical mean-field calculations are…
On the basis of density functional theory electronic band structure calculations using the augmented spherical wave method, the electronic and magnetic properties of the orthorhombic and tetragonal phases of Ca3Mn2O7 were investigated and…
We have deployed density functional theory, Wannier function analysis and mean-field calculations to investigate the double-double perovskite compound CaMnCrSbO_{6}. The crystallographically non-equivalent Mn atoms in the unit cell have…
Layered perovskites $A_3M_2$O$_7$ are known to exhibit the so-called hybrid improper ferroelectricity. Despite experimentally confirmed cases (e.g. nonmagnetic $M$=Ti and Sn), the ferroelectricity in magnetic Ca$_3$Mn$_2$O$_7$ remains a…
Materials with strongly correlated electrons exhibit physical properties that are often difficult to predict as they result from the interactions of large numbers of electrons combined with several quantum degrees of freedom. The layered…
Atomic physics has a profound impact on the physical properties of correlated electron materials. This article describes a prime example of this phenomenon. We provide a non-technical introduction to the physics of Hund metals, a broad…