Related papers: Unexpected band gap increase in the Fe2VAl Heusler…
The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to accurately calculate electronic band gaps, we utilize hybrid…
In this study, theoretical investigation on structural, electronic, magnetic, elastic and thermoelectric properties of the full Heusler Co$_2$YPb (Y = Tc, Ti, Zr and Hf) alloys have been performed within density functional theory (DFT). The…
In this work, we have investigated the electronic structure and thermoelectric properties of quaternary heusler alloy, FeRuTiSi, using first principle DFT tools implemented in WIEN2k and BoltzTraP code. Electronic structure calculations…
Normally, understanding the temperature dependent transport properties of strongly correlated electron systems remains challenging task due to complex electronic structure and its variations (around E$_{F}$) with temperature. Here, we…
Materials with linear electronic dispersion often feature high carrier mobilities and unusually strong nonlinear optical interactions. In this work, we investigate the THz nonlinear dynamics of one such material, HgCdTe, with an electronic…
The room temperature ``metallic'' properties of the quasi-one-dimensional charge density wave system (TaSe4)2I differ markedly from those expected of either a Fermi or a Luttinger Liquid. We discuss evidence for the simplest possible…
We synthesized the ferromagnetic EuAgP semiconductor and conducted a comprehensive study of its crystalline, magnetic, heat capacity, band gap, and magnetoresistance properties. Our investigation utilized a combination of X-ray diffraction,…
This work presents a comprehensive investigation of the HH alloy NaVAs using first - principles methods, emphasizing its potential applications in various fields, including spintronics, thermoelectrics, and optoelectronics. We utilized…
We study the electronic structure and thermoelectric properties of recently synthesized CoAsSb. The calculated bandgap becomes more accurate for increasingly-complex electronic structure methods: generalized gradient approximation, hybrid…
The discovery of nonmagnetic Weyl semimetals (WSMs) in TaAs compounds has triggered lots of efforts in finding its magnetic counterpart. While the direct observation of the Weyl nodes and Fermi arcs in a magnetic candidate through…
Germanium telluride (GeTe) having a direct bandgap of 0.6 eV has mainly been in phase change memory and thermoelectric power generation. In this article, we study the electronic structure of the GeTe by first-principles calculations. The…
Intermetallic semiconductors with the cubic Half-Heusler structure (XYZ) have excellent thermoelectric properties. This has been attributed to the high degeneracy of the carrier pockets in the band structure, but large differences are found…
We investigated the temperature-dependent evolution of the electronic structure of the Jeff,1/2 Mott insulator Sr2IrO4 using optical spectroscopy. The optical conductivity spectra $\sigma(\omega)$ of this compound has recently been found to…
MOSFETs based on wide band-gap semiconductors are suitable for operations at high temperature, at which additional atomic-scale processes that are benign at lower temperatures can get activated which results in device degradation. Recently…
A simple two-band model is used to describe the magnitude and temperature dependence of the magnetic susceptibility, Hall coefficient and Seebeck data from undoped and Co doped BaFe2As2. Overlapping, rigid parabolic electron and hole bands…
It is known in the literature that InGaP alloy synthesized within a certain range of growth temperature (520 - 720 degree Centrigrade) shows Cu-Pt crystal ordering. This ordering reduces the band gap energy . It was predicted that the…
Temperature evolution of the 2H-TaSe2 Fermi surface (FS) is studied by high-resolution angle-resolved photoemission spectroscopy (ARPES). High-accuracy determination of the FS geometry was possible after measuring electron momenta and…
The electronic, structural, optical, and thermoelectric properties of the Cs2O cubic structure have been investigated using density functional theory (DFT). The calculations utilize a full relativistic version of the full-potential…
Temperature-driven metal-insulator and pressure-driven insulator-metal transitions observed in(BEDT-TTF)8[Hg4X12(C6H5Y)2]] with X = Y = Br are studied through band structure calculations based on X-ray crystal structure determination and…
Neutron crystal-field spectroscopy experiments in the Y- and La-type high-temperature superconductors HoBa2Cu3O6.56, HoBa2Cu4O8, and La1.81Sr0.15Ho0.04CuO4 are reviewed. By this bulk-sensitive technique, information on the gap function is…