相关论文: Exploring Intrinsic and Extrinsic $p$-type Dopabil…
Ab-initio density functional theory calculations are performed to study the electronic properties of a MoS2 monolayer deposited over a SiO2 substrate in the presence of interface impurities and defects. When MoS2 is placed on a defect-free…
While topological superconductors are predicted to provide building blocks for fault-tolerant quantum computing, one of the remaining challenges is to find a convenient experimental platform that would allow patterning of circuits. We find…
The effect of hydrostatic pressure up to 2 GPa on the superconductiong transitions in La{2-x}Sr{x}CuO{4+delta} is investigated. The ambient and high pressure properties of two series of samples with x=0 and x=0.015 and 0<delta<0.1 are…
Recent evidence for a charge-Kondo effect in superconducting samples of Pb$_{1-x}$Tl$_x$Te [1] has brought renewed attention to the possibility of negative U superconductivity in this material, associated with valence fluctuations on the Tl…
Zinc phosphide (Zn3P2) has had a long history of scientific interest largely because of its potential for earth-abundant photovoltaics. To realize high-efficiency Zn3P2 solar cells, it is critical to understand and control point defects in…
Ab initio calculations within the density-functional theory formalism are performed to investigate the ground state, electric charge doping, and electronic properties of titanium and titanium dioxide monolayers adsorbed on a graphene…
We report optical spectroscopic measurements on electron- and hole-doped BaFe2As2. We show that the compounds in the normal state are not simple metals. The optical conductivity spectra contain, in addition to the free carrier response at…
Our ability to efficiently detect and generate far-infrared (i.e., terahertz) radiation is vital in areas spanning from biomedical imaging to interstellar spectroscopy. Despite decades of intense research, bridging the terahertz gap between…
Doping a two-dimensional semiconductor with magnetic atoms is a possible route to induce magnetism in the material. We report on the atomic structure and electronic properties of monolayer WSe$_2$ intentionally doped with vanadium atoms by…
At hole concentrations below x=0.4, Ba_(1-x)K_xBiO_3 is non-metallic. At x=0, pure BaBiO3 is a Peierls insulator. Very dilute holes create bipolaronic point defects in the Peierls order parameter. Here we find that the Rice-Sneddon version…
Correlated two-dimensional (2D) layers, like 1T-phases of TaS2, TaSe2 and NbSe2, exhibit rich tunability through varying interlayer couplings, which promotes the understanding of electron-correlation in the 2D limit. However, the coupling…
Inspired by the observation of increasingly one-dimensional (1D) behavior with decreasing temperature in small-angle twisted bilayers of WTe$_2$ (tWTe$_2$), we theoretically explore the exotic sliding regimes that could be realized in…
The presence of defects in the narrow-gap semiconductors GaSb and InSb affects their dopability and hence applicability for a range of optoelectronic applications. Here, we report hybrid density functional theory based calculations of the…
Van der Waals (vdW) heterostructures of two-dimensional (2D) materials have become a rich playground for the exploration of correlated quantum phases, and recent studies have begun to probe their non-equilibrium dynamics under femtosecond…
Sliding of two-dimensional materials is critical for their application as solid lubricants for space, and also relevant for strain engineering and device fabrication. Dopants such as Ni surprisingly improve lubrication in MoS$_2$, despite…
The band gap of two-dimensional (2D) semiconductors can be efficiently tuned by gate electric field, which is so called the Stark effect. We report that doping, which is essential in realistic devices, will substantially change the Stark…
The real part of the in-plane optical self-energy data in underdoped Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+\delta}$ (Bi-2212) and ortho II YBa$_{2}$Cu$_{3}$O$_{6.5}$ contains new and important information on the pseudogap. Using a theoretical…
The electronic properties of polycrystalline lead oxide consisting of a network of single-crystalline $\alpha$-PbO platelets and the formation of the native point defects in $\alpha$-PbO crystal lattice are studied using first principles…
Here, we have identified the monolayer phase of Bi2O2Se as a promising two-dimensional semiconductor with ultra-high carrier mobility and giant electric polarization. Due to the strong reconstruction originated from the interlayer…
We argue that in cuprate physics there are two types, hole content per CuO$_2$ plane ($P_{pl}$) and the corresponding hole content per unit volume ($P_{3D}$), of hole-doping concentrations for addressing physical properties that are…