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A large anomalous Hall effect (AHE) has been observed in ferromagnetic $\textrm{Fe}_3\textrm{Sn}_2$ with breathing kagome bilayers. To understand the underlying mechanism for this, we investigate the electronic structure of…
We report on far- and mid-infrared reflectivity of NdMnO3 from 4 K to 300K. Two main features are distinguished in the infrared spectra: active phonons in agreement with the expected for orthorhombic D2h 16-Pbnm (Z=4) space group remaining…
Three fundamentally different electronic structures for 3d electron states in LaMnO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic-like crystal-field approach that yields the…
Electrides, with excess anionic electrons confined in their empty space, are promising for uses in catalysis, nonlinear optics and spin-electronics. However, the application of electrides is limited by their high chemical reactivity with…
Two-dimensional (2D) transition metal dinitride (HfN2) has been studied for their optoelectronic, piezoelectric, and thermoelectric properties. Both monolayer and bilayer of HfN2 were studied using density functional theory (DFT) and…
Two dimensional layered materials exhibit versatile electronic properties in their different phases. The intrinsic electronic properties of these materials can be modulated through doping or intercalation. In this study, we investigated the…
Atomic nanowires on semiconductor surfaces induced by the adsorption of metallic atoms have attracted a lot of attention as possible hosts of the elusive, Tomonaga-Luttinger liquid. The Au/Ge(100) system in particular is the subject of…
A review of long-term studies of ZrB$_{12}$ and LuB$_{12}$ superconductors with very similar conduction bands and phonon spectra, but with radically different (by a factor of 15-20) critical temperatures and magnetic fields is presented. A…
Establishing a minimal microscopic model for cuprates is a key step towards the elucidation of a high-$T_c$ mechanism. By a quantitative comparison with a recent \emph{in situ} angle-resolved photoemission spectroscopy measurement in doped…
In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Mn doped ZnO nanowires with small diameter. We determine changes in magnetic and…
Recently, the two dimensional (2D) materials have become a potential candidates for various technological applications in spintronics and optoelectronics. In the present study, the structural, electronic, and phase stability of 2D layered…
Structural modifications in InP(111) due to 1.5 MeV implantation of Sb have been characterized using first order and second order Raman spectroscopy. With both Longitudinal Optical (LO) and Transverse Optical (TO) modes allowed for…
The electronic structure of ultra-small Au clusters on thin MgO/Ag(001) films has been analyzed by scanning tunneling spectroscopy and density functional theory. The clusters exhibit two-dimensional (2D) quantum well states, whose shapes…
Electron-phonon coupling in atoms and molecules adsorbed at metal surfaces gives rise to finite vibrational linewidths in infrared or electron energy loss spectra. When it is the dominant contribution to the vibrational lifetime, it…
Fermi surfaces, three-dimensional (3D) abstract interfaces that define the occupied energies of electrons in a solid, are important for characterizing and predicting the thermal, electrical, magnetic, and optical properties of crystalline…
The energies, widths, and shapes of features observed in the total energy distributions in field emission from W(100) and W(111) are compared with the results of a full-potential LAPW calculation of the surface density of states based on a…
Graded Al-doped ZnO layers, constituted by a mesoporous forest like system evolving into a compact transparent conductor, were synthesized by Pulsed Laser Deposition with different morphology to study the correlation with functional…
We determine the electronic density of states for computationally-generated bulk samples of amorphous chalcogenide alloys As$_{x}$Se$_{100-x}$. The samples were generated using a structure-building algorithm reported recently by us ({J.…
Unlike the chirality of electrons, the intrinsic chirality of phonons has only surfaced in recent years. Here we report on the effects of the interaction between electrons and chiral phonons in two-dimensional materials by using a…
We have performed an angle-resolved photoemission spectroscopy (ARPES) study of BaNi$_2$P$_2$ which shows a superconducting transition at $T_c$ $\sim$ 2.5 K. We observed hole and electron Fermi surfaces (FSs) around the Brillouin zone…