相关论文: Electronic structure of CeRu4Sn6: a density functi…

Motivated by the recent discovery of a continuous ferromagnetic quantum phase transition in CeRh$_6$Ge$_4$ and its distinction from other U-based heavy fermion metals such as UGe$_2$, we develop a unified explanation of their different…

We investigate the periodic Anderson model with $\bm{k}$-dependent $c$-$f$ mixing reproducing the point nodes of the hybridization gap by using the dynamical mean-field theory combined with the exact diagonalization method. At low…

The strain effect on electronic structure and thermoelectric properties of Higher Manganese Silicides (HMSs) Mn4Si7 was studied using Density Functional Theory (DFT) and through solving Boltzman Transport Equation (BTE). We found that the…

Kondo insulators are predicted to undergo an insulator-to-metal transition under applied magnetic field, yet the extremely high fields required to date have prohibited a comprehensive investigation of the nature of this transition. Here we…

We report the electronic structure of monoclinic CuO as obtained from first principles calculations utilizing density functional theory plus effective Coulomb interaction (DFT + U) method. In contrast to standard DFT calculations taking…

The electronic property and magnetic susceptibility of Ce$_3$Pd$_3$Bi$_4$ were systemically investigated from 18 K to 290 K for varying values of cell-volume using dynamic mean-field theory coupled with density functional theory. By…

We performed $^{59}$Co nuclear magnetic and quadrupole resonance (NMR and NQR) measurements under pressure on a single-crystalline CeCoSi, which undergoes an unresolved phase transition at $T_0$. The NQR spectra clearly showed that the…

The complex theoretical and experimental studies of the band structure and the optical functions of the Cu2CdGeSe4 quaternary crystals are reported. The benchmark band structure calculations were performed using the first-principles…

We report an excellent realization of the highly non-classical incommensurate spin-density wave (SDW) state in the quantum frustrated antiferromagnetic insulator Cs$_2$CoBr$_4$. In contrast to the well-known Ising spin chain case, here the…

In Kondo insulators the many-body Kondo lattice effect drives the formation of bands containing heavy charge carriers with a hybridization gap, leading to insulating properties. These renormalized bands can host non-trivial topologies…

Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site decreases from 11 to 6, in qualitative agreement with…

We study the Kondo effect in a CNT(left lead)-CNT(QD)-CNT(right lead) structure. Here CNT is a single-wall metallic carbon nanotube, for which 1) the valence and conduction bands of electrons with zero orbital angular momentum ($m=0$)…

The electronic, magnetic and optical properties of the double perovskite Sr$_2$CoIrO$_6$ (SCIO) under biaxial strain are explored in the framework of density functional theory (DFT) including a Hubbard $U$ term and spin-orbit coupling (SOC)…

SmB6 is a strongly correlated material that has been attributed as a topological insulator and a Kondo insulator. Recent studies have found the topological surface states and low temperature insulating character to be profoundly robust…

We investigate the thermal and transport properties of CexLa1-xRu2Al10 to clarify the origin of the recently discovered mysterious phase below T0=27 K in CeRu2Al10 where a large magnetic entropy is released, however, the existence of an…

The half-metallic Heusler compound Co$_2$MnSi is a very attractive material for spintronic devices because it exhibits very high tunnelling magnetoresistance ratios. This work reports on a spectroscopic investigation of thin Co$_2$MnSi…

We report on magneto-transport properties of the Kondo semiconducting compound CeRu$_2$Al$_{10}$, focusing on its exotic phase below $T_0$ = 27 K. In this phase, an excess thermal conductivity $\kappa$ emerges and is gradually suppressed by…

In the ferrimagnetic semiconductor Mn$_3$Si$_2$Te$_6$, a colossal magnetoresistance (CMR) is observed only when a magnetic field is applied along the magnetic hard axis ($\mathbf{H}\parallel c$). This phenomenon suggests an unconventional…

By performing density functional calculations, we find a giant magnetocrystalline anisotropy (MCA) constant in abundant element cerium (Ce) substituted M-type hexaferrite, in the energetically favorable strontium site, assisted by a quantum…

Antiferromagnetic FeSn is considered to be a close realization of the ideal two-dimensional (2D) kagome lattice, hosting Dirac cones, van Hove singularities, and flat bands, as it comprises Fe$_3$Sn kagome layers well separated by Sn buffer…