Related papers: A Minimal tight-binding model for ferromagnetic ca…
Diamond-structure materials have been extensively studied for decades, which form the foundation for most semiconductors and their modern day electronic devices. Here, we discover a e$_g$-orbital ($d_{z^2}$,$d_{x^2-y^2}$ ) model within the…
We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…
The generalized tight-binding model is developed to investigate the rich and unique electronic properties of AB-bt (bottom-top) bilayer silicene under uniform perpendicular electric and magnetic fields. The first pair of conduction and…
Moire superlattices in twisted bilayer graphene (TBG) and its derived structures can host exotic correlated quantum phenomena because the narrow moire flat minibands in those systems effectively enhance the electron-electron interaction.…
Using the density-functional-theory based electronic structure calculations, we study the electronic state of recently discovered mixed-valent manganese oxides $A$Mg$_4$Mn$_6$O$_{15}$ ($A=$ K, Rb, Cs), which are fully spin-polarized…
An accurate understanding of the ground state electronic properties of La$_3$Ni$_2$O$_7$, a high-temperature superconductor under pressure, is key for unveiling the origin of its superconductivity. In this paper, we conduct a theoretical…
Flat band systems in condensed matter physics are intriguing because they can exhibit exotic phases and unconventional properties. In this work, we studied three correlated magnetic systems, Na$_2$BaX(PO$_4$)$_2$ (X = Mn, Co, Ni), and…
Altermagnets feature vanishing net magnetization, like antiferromagnets, but exhibit time-reversal symmetry breaking and momentum-dependent spin-split band structures. Motivated by the prevalence of altermagnetic materials with…
The electronic structure of materials is fundamentally governed by their crystal symmetry. While most research on two-dimensional materials has focused on hexagonal lattices, such as graphene, hexagonal boron nitride, and transition metal…
Self-interaction corrected local spin density approximation calculations were performed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence and inter-relationship of Sr doping, magnetic structure, O displacements and phase…
A theoretical model is presented for low-frequency magnetoelectric (ME) effects in bilayers of magnetostrictive and piezoelectric phases. A novel approach, the introduction of an interface coupling parameter k, is proposed for the…
Interesting magnetic properties and spin-exchange interactions along various possible pathways in half-integral spin quantum magnetic tetramer system: A$_{2}$PO$_{4}$OH (A = Co, Cu) are investigated. Interplay of structural distortion and…
Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to the high Curie temperatures and the structural similarity to the binary semiconductors. In this review we present an overview of the basic electronic…
Using first-principles electronic structure calculations based on density functional theory (DFT), we investigate the structural, electronic and magnetic properties of the layered ternary manganese tellurides: AMnTe2 (A = K, Rb, and Cs).…
The metal-insulator transition, and the associated magnetic transition, in the colossal magnetoresistance (CMR) regime of the one-orbital model for manganites is here studied using Monte Carlo (MC) techniques. Both cooperative oxygen…
We investigate the electronic properties of MXenes by three bands tight-binding model of \d_{z^2} , \d_{xy} , and \d_{x^2-y^2} orbitals. The three corresponding bands touch each other at high symmetry K point in the case of absence of…
Ferrimagnets containing several partially compensated magnetic sublattices are considered the most promising materials for all-optical data storage and for ultrafast communications based on spin waves. There are two magnetic phases of the…
Structural, magnetic and ferromagnetic resonance characterization studies have been performed on lay-ered ferromagnetic-ferroelectric oxides that show strong magnetoelectric coupling. The samples contained thick films of ferrites or…
Owing to the interaction between the layers, the twisted bilayer two-dimensional materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in…
Most previous investigations have shown that the surface of a ferromagnetic material may have antiferromagnetic tendencies. However, experimentally the opposite effect has been recently observed: ferromagnetism appears in some nano-sized…