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For spintronics applications, it is highly desirable to realize highly-spin-polarized two-dimensional (2D) electron systems in electrically-controllable epitaxial ultrathin films on semiconductor substrates. Through systematic…
The Kondo effect between localized $f$-electrons and conductive carriers leads to exotic physical phenomena. Among them, heavy-fermion (HF) systems, in which massive effective carriers appear due to the Kondo effect, have fascinated many…
We propose three transition-metal adatom systems on 3C-SiC(111) surfaces as a versatile platform to realize massless Dirac fermions and flat bands with strong electronic correlations. Using density functional theory combined with the…
Two common difficulties in the design of topological quantum materials are that the desired features lie too far from the Fermi level and are spread over a too-large energy range. Doping-induced states at the Fermi level provide a solution,…
We propose to realize the itinerant ferromagnetism of two-component cold fermionic atoms in the $p$-orbital bands in optical lattices. The band flatness in the two-dimensional honeycomb lattice dramatically amplifies the interaction effect…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
This is a short review of two-dimensional Dirac fermions in graphene and similar systems such as boron nitride, quasi-2D organic salts $\alpha$-(BEDT-TTF)$_2$I$_3$, artificial graphene with cold atoms in optical lattices, etc. The emphasis…
Recently, log-periodic quantum oscillations have been detected in topological materials zirconium pentatelluride (ZrTe5) and hafnium pentatelluride (HfTe5), displaying intriguing discrete scale invariance (DSI) characteristic. In condensed…
For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each…
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…
The anisotropic two-orbital Hubbard model with different bandwidths and degrees of frustration in each orbital is investigated in the framework of both single-site dynamical mean-field theory (DMFT) as well as its cluster extension (DCA)…
We investigate the phase diagram of spinless fermions with nearest and next-nearest neighbour density-density interactions on the honeycomb lattice at half-filling. Using Exact Diagonalization techniques of the full Hamiltonian and…
Among the numerous 2D system that can be prepared via exfoliation, iron phosphorus trisulfide (FePS3) attracts a lot of attention recently due to its broad-range photoresponse, its unusual Ising-type magnetic order and possible applications…
Materials with designed properties arises in a synergy between theoretical and experimental approaches. In this study we explore the set of Archimedean lattices forming a guidance to its electronic properties and topological phases. Within…
Semimetals, in which conduction and valence bands touch but do not form Fermi surfaces, have attracted considerable interest for their anomalous properties starting with the discovery of Dirac matter in graphene and other two-dimensional…
This study examines the potential of superconductivity in transition metal (TM) intercalated bilayer graphene through a systematic study of the electronic and magnetic properties. We determine the electronic structure for all first row TM…
The discovery of monolayer graphene has initiated two fertile fields in modern condensed matter physics, Dirac semimetals and atomically-thin layered materials. When these trends meet again in transition metal compounds, which possess spin…
We theoretically study the de Haas-van Alphen (dHvA) oscillations in the system with changing the topology of the Fermi surface (the Lifshitz transition) by electron dopings. We employ the two-dimensional tight binding model for…
Flat electronic bands enable fascinating emergent phenomena such as superconductivity and charge orders. A prevailing approach to realizing flat bands is to engineer lattice geometric constraints in twisted or kagome-like materials. An…
Motivated by the recent discovery of Mott insulating phase and unconventional superconductivity due to the flat bands in twisted bilayer graphene, we propose more generic ways of getting two-dimensional (2D) emergent flat band lattices…