相关论文: Probing efficient n-type lanthanide dopants for Mg…

The recent discovery of superconductivity in Sr-doped NdNiO$_2$, with a critical temperature of $10-15$ K suggests the possibility of a new family of nickel-based high-temperature superconductors (HTS). NdNiO$_{2}$ is the $n=\infty$ member…

Mn doped semiconductors are extremely interesting systems due to their novel magnetic properties suitable for the spintronics applications. It has been shown recently by both theory and experiment that Mn doped GaN systems have a very high…

The discovery of superconductivity in copper oxide compounds has attracted considerable attention over the past three decades. The high transition temperature in these compounds, exhibiting proximity to an antiferromagnetic order in their…

NaCl-type metal tellurides (MTe) have been widely studied due to unique physical properties. We investigated the In-doping effects on structural and physical properties of Na-Cl type (AgPbBi)(1-x)/3InxTe and the superconducting properties…

The solid state reaction method is employed to synthesize Sn1-xInxTe samples. Power Factors of synthesized samples are estimated from resistivity and thermopower data. Modifications in structural parameters, resistivity and thermopower…

Tetrahedrite-based ($\textrm{Cu}_{12}\textrm{Sb}_{4}\textrm{S}_{13}$) materials are candidates for good thermoelectric generators due to their intrinsic, very low thermal conductivity and high power factor. One of the current limitations is…

We report a detailed first-principles study of doping in Li$_2$MnO$_3$, in both the dilute doping limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo, and Ru impurities are energetically most…

Following the theoretical predictions of ferromagnetism in Mn- and Co-doped ZnO, several workers reported ferromagnetism in thin films as well as in bulk samples of these materials. While some observe room-temperature ferromagnetism, others…

TM-doped IrTe2(TM=Mn, Fe, Co, Ni) compounds were synthesized by solid state reaction. Single crystal x-ray diffraction experiments indicate that part of the doped TM ions (TM=Fe, Co, and Ni) substitute for Ir, and the rest intercalate into…

We investigated the electrical conductivity, thermal conductivity and thermopower as a function of Nb content (x) in Ba0.7Eu0.3Ti1-xNbxO3 (x = 0.001- 0.10) in the temperature range T = 400-2 K. The substitution of Nb destabilizes the…

We have successfully synthesized one member of LnFeAsO (Ln stands for lanthanides) with Ln=Tb. By partial substitution of Tb$^{3+}$ by Th$^{4+}$, superconductivity with onset $T_{c}$ up to 52 K was observed. In the undoped parent compound,…

Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten…

Two-dimensional (2D) materials may have potential applications in thermoelectric devices. In this work, we systematically investigate the thermoelectric properties of orthorhombic group IV-VI monolayers $\mathrm{AB}$ (A=Ge and Sn; B=S and…

We realize Mn $\delta$-doping into Si and Si/Ge interfaces using Mn atomic chains on Si(001). Highly sensitive X-ray absorption fine structure techniques reveal that encapsulation at room temperature prevents the formation of silicides /…

Electronic structures of the tetradymites, Bi$_2$Te$_3$, Bi$_2$Te$_2$Se and Bi$_2$Se$_3$, containing various dopants and vacancies, are studied using the first principles calculations methods. We focus on the possibility of formation of the…

We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic…

Oxide thermoelectrics are exciting due to their chemical and thermal stability at high temperatures. However, the efficacy of these materials are limited by poor figure of merit (zT). In this study, the role of Sr and Mn co-substitution on…

Here, we have studied the temperature dependent Seebeck coefficient (S) of the NaCo$_2$O$_4$ (NCO) by using experimental and computational methods. The range of experimentally obtained S is $\sim$55 to 103 $\mu$V/K in the temperature range…

We systematically study thermoelectric properties of layered MoS$_2$ by doping, based on Boltzmann transport theory and first-principles calculations. We obtain optimal doping region (around 10$^{19}$ cm$^{-3}$) by looking closely to the…

We investigate the electronic and magnetic properties of Mn-doped CdTe nanocrystals (NCs) with 2 nm in diameter which can be experimentally synthesized with Mn atoms inside. Using the density-functional theory, we consider two doping cases:…