相关论文: Quantitative comparison of LDA+DMFT and ARPES spec…
The existence of coherent quasiparticles near the Fermi energy in the low temperature state of high-temperature superconductors has been well established by angle-resolved photoemission spectroscopy (ARPES). This technique directly probes…
Thermal properties of solid-state materials are a fundamental topic of study with important practical implications. For example, anisotropic displacement parameters (ADPs) are routinely used in physics, chemistry, and crystallography to…
We study $1s$ and $2p$ hard x-ray photoemission spectra (XPS) in a series of late transition metal oxides: Fe$_2$O$_3$ (3$d^{5}$), FeTiO$_3$ (3$d^{6}$), CoO (3$d^{7}$) and NiO (3$d^{8}$). The experimental spectra are analyzed with two…
Theoretical spectroscopy, and more generally, electronic-structure theory, are powerful concepts for describing the complex many-body interactions in materials. They comprise a variety of methods that can capture all aspects, from…
The engineering of the optical response of materials is a paradigm that demands microscopic-level accuracy and reliable predictive theoretical tools. Here we compare and contrast the dispersive permittivity tensor, using both a low-energy…
Recently, Kobayashi et al. (arXiv:1608.07718; ref. 1) have proposed an alternative interpretation of our angle-resolved photoemission spectroscopy (ARPES) results for the dilute ferromagnetic semiconductor (Ga,Mn)As. They claim that our…
We present angle-resolved photoemission spectra of the $\gamma$-phase of manganese as well as a theoretical analysis using a recently developed approach that combines density functional and dynamical mean field methods (LDA+DMFT). The…
We perform angle-resolved photoemission spectroscopy (ARPES) measurements in conjunction with density functional theory (DFT) calculations to investigate the evolution of the electronic structure of CeBi upon a series of antiferromagnetic…
Most studies of the mean-free path accumulation function (MFPAF) rely on optical techniques to probe heat transfer at length scales on the order of the phonon mean-free path. In this paper, we propose and implement a purely electrical probe…
We show theoretically how constant-energy maps of the angle-resolved photoemission intensity can be used to test wave function symmetry in graphene. For monolayer graphene, we demonstrate that the observed anisotropy of ARPES spectra is a…
Revealing the fine electronic structure is critical for understanding the underlying physics of low-dimensional materials. Angle-resolved photoemission spectroscopy (ARPES) is a powerful experimental technique for mapping out the…
Recently we proposed an information entropy based method for electronic structure calculations within the density-matrix functional theory(DMFT) (Phys. Rev. Lett. 128, 013001), dubbed as $i$-DMFT. Comments have been raised regarding the…
Optical spectroscopy, X-ray diffraction measurements, density functional theory (DFT) and density functional theory + embedded dynamical mean field theory (DFT+eDMFT) have been used to characterize structural and electronic properties of…
The journey of theoretical study on semiconductors is reviewed in a non-conventional way. We have started with the basic introduction of Hartree-Fock method and introduce the fundamentals of Density Functional Theory (DFT). From the oldest…
Optical spectrum analysis is the cornerstone of spectroscopic sensing, optical network performance monitoring, and hyperspectral imaging. While conventional high-performance spectrometers used to perform such analysis are often large…
We present extensive calculations of radiative transition rates and electron impact collision strengths for Fe II. The data sets involve 52 levels from the $3d\,^7$, $3d\,^64s$, and $3d\,^54s^2$ configurations. Computations of $A$-values…
The LDA+DMFT (local density approximation combined with dynamical mean-field theory) computation scheme has been used to study spectral and magnetic properties of FeSi and Fe$_{1-x}$Co$_{x}$Si. Having compared different models we conclude…
Time- and angle-resolved photoemission spectroscopy (TR-ARPES) accesses the electronic structure of solids under optical excitation, and is a powerful technique for studying the coupling between electrons and collective modes. One approach…
Nowadays it has become feasible to perform angle-resolved photoemission spectroscopy (ARPES) measurements of transition-metal oxides with three-dimensional perovskite structures owing to the availability of high-quality single crystals of…
One of the most remarkable characteristics of topological materials is that they have special surface states, which are determined by the topological properties of their bulk materials. The angle resolved photoemission spectroscopy (ARPES)…