相关论文: Hole doping MgB$_2$ without chemical substitution

Insulating FeGa$_3$ poses peculiar puzzles beyond the occurrence of an electronic gap in an intermetallic compound. This Fe-based material has a very distinctive structural characteristic with the Fe atoms occurring in dimers. The…

The formation of stripes in six-leg Hubbard ladders with cylindrical boundary conditions is investigated for two different hole dopings, where the amplitude of the hole density modulation is determined in the limits of vanishing DMRG…

We have studied the vortex-matter phase diagram of low C doped MgB$_2$ superconductor. The significant finding is the appearance of a peak effect, which, as both our global magnetization and local ac susceptibility measurements revealed, is…

One of the enduring challenges in graphene research and applications is the extreme sensitivity of its charge carriers to external perturbations, especially those introduced by the substrate. The best available substrates to date, graphite…

Electronic structure, electrical transport, dc and ac magnetization properties of the hole substituted (Sr2+) partially B-site disordered double perovskite Pr2-xSrxCoMnO6 system have been investigated. Electronic structure was probed by…

Pb doping effect in the Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10}$ compound (Bi2223) on the structural and electronic properties were investigated, using the Local Density (LDA) and Virtual Crystal (VCA) approximations within the framework of the…

We demonstrate how weak hybridization can lead to apparent heavy doping of 2d materials even in case of physisorptive binding. Combining ab-intio calculations and a generic model we show that strong reshaping of Fermi surfaces and changes…

We study the electronic and local structural properties of pure and In-substituted $\beta$-Ga$_2$O$_3$ using density functional theory (DFT). Our main result is that the structural energetics of In in Ga$_2$O$_3$ causes most sites to be…

BaMn$_{2}$As$_{2}$ is an antiferromagnetic insulator where a metal-insulator transition occurs with hole doping via the substitution of Ba with K. The metal-insulator transition causes only a small suppression of the N\'eel temperature…

The variation of TC in MgB2 has been systematically investigated for monovalent cation substitution in Mg1-xLixB2 and in Mg1-xCuxB2 and simultaneous cation and Carbon substitution in Mg0.80Li0.20B2-xCx and Mg0.95Cu0.05B2-xCx using dc…

High quality graphene nanoribbons (GNRs) grown by on-surface synthesis strategies with atomic precision can be controllably doped by inserting heteroatoms or chemical groups in the molecular precursors. Here, we study the electronic…

Single crystals of Ba$_{1-x}$Na$_x$Fe$_2$As$_2$ with $x$ = 0, 0.25, 0.35, 0.4 were grown using a self-flux high temperature solution growth technique. The superconducting and normal state properties were studied by temperature dependent…

By means of first-principles calculations, we predict two new types of partially hydrogenated graphene systems: C$_{6}$H$_{1}$ and C$_{6}$H$_{5}$, which are shown to be ferromagnetic (FM) semimetal and FM narrow-gap semiconductor,…

We report measurements on MgB2 up to ~40GPa. Increasing pressure yields a monotonous decrease of the lattice parameters and of the c/a ratio, but no structural transition down to parameters smaller than those of AlB2. The transition…

Graphene in the presence of a strong external magnetic field is a unique attraction for investigations of the fractional quantum Hall (fQH) states with odd and even denominators of the fraction. Most of the attempts to understand Graphene…

Electron- and hole-doped La$_2$CoMnO$_6$(LCMO) are investigated using first principles DFT calculations. Hole and electron doping are achieved respectively by introducing Sr$^{2+}$ at La$^{3+}$ sites and by inducing O-site vacancies in…

The recent experimental observations of designer Dirac Fermions and topological phases in molecular graphene are addressed theoretically. Using scattering theory we calculate the electronic structure of finite lattices of scattering centers…

Ferroelectric hafnia (HfO2) holds promise for next-generation memory and logic applications because of its CMOS compatibility. However, the high coercive field required for polarization switching in HfO2 remains a critical challenge for…

We present a joint theoretical and experimental investigation of charge doping and electronic potential landscapes in hybrid structures composed of graphene and semiconducting single layer MoS2. From first-principles simulations we find…

While the mechanical distortions change the electronic properties of graphene significantly, the effects of electronic manipulation on its mechanical properties have not been known. Using first-principles calculation methods, we show that,…