Related papers: A first-principles study of co-doping in lanthanum…
Thermoelectric performance of SnTe has been found to enhance with isovalent doping of alkaline and transition metal elements where most of these elements have solubility of less than 13%. We propose a strategy of doping rare earth element…
Doping bismuth selenide (Bi2Se3) with elements such as copper and strontium (Sr) can induce superconductivity, making the doped materials interesting candidates to explore potential topological superconducting behaviors. It was thought that…
The percentage of substitutional doping of magnetic atoms (Mn) in group-IV-based dilute magnetic semiconductors (DMS) can be increased by co-doping with another conventional electronic dopant (e-dopant) [Zhu et al., Phys. Rev. Lett. 100,…
In this study, the effect of Sr- and Ni-doping on microstructural, morphological and sensing properties of ZnO nanorods has been investigated. Nanorods with different Sr and Ni loadings were prepared using a simple wet chemical method and…
The structural and electronic properties of the clathrate compounds Ba$_{8}$Al$_{x}$Si$_{46-x}$ and Sr$_{8}$Al$_{x}$Si$_{46-x}$ are studied from first principles, considering an Al content $x$ between 6 and 16. Due to the large number of…
Doping $La_2CuO_{4}$ with alkaline-earth, $Ae= Sr,Ba$ generates holes in $La_{2-y-x}Ln_yAe_xCuO_{4}$ ($Ln =$ $Nd,Eu$). A small fraction of the holes, $\check{p} \le $ $0.02$, suppresses 3D-AFM. The rest resides as double holes at $O$ atoms…
We investigate native point defects and rare-earth (co)dopants in SrAl$_2$O$_4$ using hybrid density-functional defect calculations. Europium (Eu) and dysprosium (Dy) are found to be mixed valence and energetically most favorable at the Sr…
Strontium titanate (SrTiO3) is widely used as a promising photocatalyst due to its unique band edge alignment with respect to the oxidation and reduction potential corresponding to oxygen evolution reaction (OER) and hydrogen evolution…
Practical high temperature superconductors must be textured to minimize the reduction of the critical current density $J_{gb}$ at misoriented grain boundaries. Partial substitution of Ca for Y in $YBa_2Cu_3O_{7-\delta}$ has shown…
(La1-xSrx)(Zn1-yMny)AsO is a two dimensional diluted ferromagnetic semiconductor that has the advantage of decoupled charge and spin doping. The substitution of Sr2+ for La3+ and Mn2+ for Zn2+ into the parent semiconductor LaZnAsO…
Filling the large voids in the crystal structure of the skutterudite CoSb$_3$ with rattler atoms $R$ provides an avenue for both increasing carrier concentration and disrupting lattice heat transport, leading to impressive thermoelectric…
The comprehensive research of the electronic structure, thermodynamic and electrical transport properties reveals the existence of inhomogeneous superconductivity due to structural disorder in Ca$_3$Rh$_4$Sn$_{13}$ doped with La…
Electrochemical CO2 reduction reaction (CO2RR) using 2D nanomaterials has emerged as a sophisticated approach to mitigate industrial CO2 emissions. In this work, the potential application of pristine as well as strategically Fe, Co,…
An investigation of La and Ca doped Sr4Ru3O10, featuring a coexistence of interlayer ferromagnetism and intralayer metamagnetism, is presented. La doping readily changes magnetism between ferromagnetism and metamagnetism by tuning the…
We present a Hamiltonian in real space which is well suited to study numerically the behavior of holes introduced in III-V semiconductors by Mn doping when the III$^{3+}$ ion is replaced by Mn$^{2+}$. We consider the actual lattice with the…
The effective mass is one of the main factors determining the Seebeck coefficient and electronic conductivity. Nb-doping increases the effective mass because of two reasons, lattice constants increase and electronic effects. In this…
Here we study the effect of electron doping the kagome superconductor CsV$_3$Sb$_5$. Single crystals and powders of CsV$_3$Sb$_{5-x}$Te$_x$ are synthesized and characterized via magnetic susceptibility, nuclear quadrupole resonance, and…
Boosting superconductivity by metallic reservoirs is the essence of Kivelson's bilayer proposal. One layer provides pairing to the electrons, while the weakly coupled metal provides additional phase coherence to those pairs by mediating…
The electronic structure inhomogeneities in Co, Ni, and Cr doped BaFe2As2 122 single crystals are compared using scanning tunneling microscopy/spectroscopy (STM/S) at the nanoscale within three bulk property regions in the phase diagram: a…
We use coherent backscattering (CBS) of light by cold Strontium atoms to study the mutual coherence of light waves in the multiple scattering regime. As the probe light intensity is increased, the atomic optical transition starts to be…