Related papers: Electronic structure of PrCoO_3 and its temperatur…
The electron-phonon interaction contribution to the electronic energies is included in density functional total energy calculations with ab initio pseudopotentials via the Allen formalism [Phys. Rev. B 18, 5217 (1978)] to obtain temperature…
The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…
The electronic structure of Sr0.35CoO2, structurally analogous to the layered NaxCoO2, has been evaluated using the local spin density approximation (LSDA). We find that evident c-dispersions appear in both the e'g and a1g Co-derived bands,…
A complex magnetic order of the multiferroic compound Co3TeO6 has been revealed by neutron powder diffraction studies on ceramics and crushed single crystals. The compound adopts a monoclinic structure (s.g. C2/c) in the studied temperature…
In this study, we report on investigations of the electronic structure of SrTiO$_3$ annealed at temperature ranging between 550 and 840$^\circ$C in an ultrahigh vacuum. Annealing induced oxygen vacancies (O$_{vac}$) impart considerable…
We investigate the temperature-dependent electronic structure of the van der Waals ferromagnet, CrGeTe$_3$. Using angle-resolved photoemission spectroscopy, we identify atomic- and orbital-specific band shifts upon cooling through…
Electronic structure calculations using the augmented spherical wave method have been performed for CuRhO2. For this semiconductor crystallizing in the delafossite structure, it is found that the valence band maximum is mainly due to the 4d…
A high Seebeck coefficient (S), large electrical conductivity ({\sigma}), and reduced thermal conductivity ({\kappa}) are required to achieve a high figure-of-merit (zT) in an ideal thermoelectric (TE) system, which is challenging in a…
Recent theoretical calculations and experimental results suggest that the strongly correlated material SmB$_{6}$ may be a realization of a topological Kondo insulator. We have performed an angle-resolved photoemission spectroscopy study on…
Using recently developed Lanczos technique we study finite-temperature properties of the 2D Kondo lattice model at various fillings of the conduction band. At half filling the quasiparticle gap governs physical properties of the chemical…
The idea of embedding and transmitting information within the fluctuations of the magnetic moments of spins (spin waves) has been recently proposed and experimentally tested. The coherence of spin waves, which describes how well defined…
The local atomic disorder and the electronic structure in the environment of manganese atoms in LaMnO_3 has been studied by x-ray absorption spectroscopy, over a temperature range (300K to 870K) covering the orbital ordering transition…
The optical conductivity of the undoped PrMnO$_3$ manganite has been investigated in details at various temperatures between 300 and 4 K. Its low energy spectrum exhibits an optical gap, and is characterized by a single broad peak centered…
First principles density functional calculations within the local spin density approximation (LSDA) and the generalized gradient approximation (GGA) are reported for pyrochlore Cd$_2$Os$_2$O$_7$ and Cd$_{2}$Re$_{2}$O$_7$. The transition…
We investigate the effect that the temperature dependence of the crystal structure of a two dimensional organic charge-transfer salt has on the low-energy Hamiltonian representation of the electronic structure. For that, we determine the…
In this study, different electronic structure evolutions of perovskite single crystals are found via angle-resolved photoelectron spectroscopy (ARPES): (i) unchanged top valence band (VB) dispersions under different temperatures can be…
We present a Qantum Monte Carlo (QMC) study of the temperature dependent dynamics of the Kondo insulator. Working at the so-called symmetrical point allows to perform minus-sign free QMC simulations and thus reach temperatures of less than…
The interplay between crystal electric field splitting of d states and Hund's rule exchange energy in cobalt-based perovskites offers a promising avenue for inducing spin-state transitions. This study reports a new body-centered tetragonal…
We present experimental results on thermoelectric power ({\em S}) and electrical resistivity ($\rho $) of pseudobinary alloys Ho(Al$_x$Co$_{1-x}$)$_2$ ($0 \leq x \leq 0.1 $), in the temperature range 4.2 K to 300 K. The work focuses on the…
CeCoSi with no local inversion symmetric crystal structure ($P4/nmm$) exhibits a phase transition of unknown origin (Hidden Order: HO) at about 12 K ($T_0$) above the antiferromagnetic transition temperature ($T_{\rm N}=9.4$ K). The…