相关论文: Tuning the Magnetic and Electronic Properties of S…

We report a first principles systematic study of atomic, electronic, and magnetic properties of hydrogen saturated silicon nanowires (H-SiNW) which are doped by transition metal (TM) atoms placed at various interstitial sites. Our results…

We synthesized strontium titanate SrTiO$_3$ (STO), Zr doped $\text{Sr}_\text{1-x}\text{Zr}_\text{x}\text{Ti}\text{O}_3$ and (Zr, Ni) co-doped $\text{Sr}_\text{1-x}\text{Zr}_\text{x}\text{Ti}_\text{1-y}\text{Ni}_\text{y}\text{O}_3$ samples…

A first-principles investigation of the electronic and quantum transport properties of double-walled carbon nanotubes doped with nitrogen and boron atoms is presented. Concentric nanotube sidewalls separated by the typical graphitic van der…

We report on the tuning of electrical, magnetic, and topological properties of the magnetic Weyl semimetal (Mn$_{3+x}$Ge) by Fe doping at the Mn site, Mn$_{(3+x)-\delta}$Fe$_{\delta}$Ge ($\delta$=0, 0.30, and 0.62). Fe doping significantly…

Semiconducting single-walled carbon nanotubes (SWCNTs) are a promising thermoelectric material with high power factors after chemical p- or n-doping. Understanding the impact of dopant counterions on charge transport and thermoelectric…

We report an investigation of temperature- and doping-dependent thermoelectric behaviors of topological semimetal Cd3As2. The electrical conductivity, thermal conductivity, Seebeck coefficient, and figure of merit (ZT) are calculated by…

In the present study, structural changes due to gradual doping of Sr in BaTiO3 were investigated by both x-ray and neutron powder diffraction techniques. Ba1-xSrxTiO3 (x=0.0, 0.5 and 1.0) samples were synthesized by PVA evaporation method…

Ferrimagnetic nodal-line semiconductor Mn$_3$Si$_2$Te$_6$ keeps the records of colossal magnetoresistance (CMR) and angular magnetoresistance (AMR). Here we report tuning the electronic transport properties via doping and pressure in…

EuTiO3, a band insulator, and LaTiO3, a Mott insulator, are both antiferromagnetic with transition temperatures ~ 5.5 K and ~ 160 K, respectively. Here, we report the synthesis of Eu1-xLaxTiO3 thin films with x = 0 to 1 by oxide molecular…

In this article, we examine the structure and the electronic, optical, and magnetic properties of ZnTe before and after doping with the transition metal Mn. The ab initio calculations of this compound were performed using the full potential…

Acceptor and donor doping is a standard for tailoring semiconductors. More recently, doping was adapted to optimize the behavior at ferroelectric domain walls. In contrast to more than a century of research on semiconductors, the impact of…

We have investigated electron transport in Nb doped SrTiO$_3$ single crystals for two doping densities. We find that the resistivity and mobility are temperature dependent in both whereas the carrier concentration is almost temperature…

Mn-doped SrTiO_3.0, when synthesized free of impurities, is a paramagnetic insulator with interesting dielectric properties. Since delocalized charge carriers are known to promote ferromagnetism in a large number of systems via diverse…

In this present study, we systematically investigated the structural, electronic, optical and transport properties of pristine and group II, group IVa doped GaS monolayers using density functional theory (DFT). The strong formation energy…

We have investigated the influence of B - site doping on the crystal and magnetic structure in $La_{0.5}Ca_{0.5}Mn_{1-x}B_{x}O_{3}$ (B= Fe, Ru, Al and Ga) compounds using neutron diffraction, SANS, magnetization and resistivity techniques.…

SnSe monolayer with orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature. Based on first-principles density functional theory calculations, we present systematic studies on the…

The upper critical field, $H_{c2}$, of Mg(B$_{1-x}$C$_x$)$_2$ has been measured in order to probe the maximum magnetic field range for superconductivity that can be attained by C doping. Carbon doped boron filaments are prepared by CVD…

Recently the discovery of magnetic order in two-dimensional monolayer chromium trihalides opens the new research field in two-dimensional materials. We use first-principles calculations to systematically examine the doping effect of…

Structural and optoelectronic properties of {\alpha}, \{beta}, {\gamma} phases of calcium titanate are studied with the implementation of first-principles quantum-chemical calculations in the framework of DFT. When optimizing the geometry,…

The search for a two-dimensional material that simultaneously fulfills some properties for its use in spintronics and optoelectronics, i.e., a suitable bandgap with high in-plane carrier mobility and good environmental stability, is the…