Related papers: Substitutional Doped GeSe: Tunable Oxidative State…

This thesis focuses on two different, but complementary, aspects of the modification of gallium lanthanum sulphide (GLS) glasses. Firstly the addition of transition metal ions as dopants is examined and their potential for use as active…

We systematically investigate the electronic structures of pristine monolayer WSe$_2$ and WSe$_2$ superlattices with periodic nitrogen substitution. Unlike random doping, which often introduces in-gap impurity states, periodic nitrogen…

In order to examine the interplay between magnetism and superconductivity, we monitor the non- superconducting chalcogenide FeTe and follow its transitions under insertion of oxygen, doping with Se and vacancies of Fe using spin-polarized…

Topological semimetals offer a rich platform for exploring massless fermion physics and realizing exotic properties with potential technological applications. GdPS, a magnetic semiconductor derived from the nodal-line semimetal ZrSiS…

Magnetic interaction with the gapless surface states in topological insulator (TI) has been predicted to give rise to a few exotic quantum phenomena. However, the effective magnetic doping of TI is still challenging in experiment. Using…

We report the effect of germanium as n-type dopant on the electrical and optical properties of AlxGa1-xN layers grown by plasma assisted molecular-beam epitaxy. The Al content has been varied from x = 0 to 0.66, confirmed by Rutherford…

High-temperature superconductivity and a wide variety of exotic superconducting states discovered in FeSe-based materials have been at the frontier of research on condensed matter physics over the past decade. Unique properties originating…

We have systematically investigated the $Na_xCoO_2$ system doped with Cu, Y, Sn, W, Au and Bi for $x$ = 0:5; 0:75 and 1.00 using density functional theory. Sn, W, and Bi always substitute a Co while Au always substitutes a Na regardless of…

Close-packed chalcogenide spinels, such as MgSc$_2$Se$_4$, MgIn$_2$S$_4$ and MgSc$_2$S$_4$, show potential as solid electrolytes in Mg batteries, but are affected by non-negligible electronic conductivity, which contributes to…

In order to replace conventional liquid electrolytes, solid electrolyte should possess high ionic conductivity. In this study, the effects of Ga-Ce co-doping on the garnet Li7La3Zr2O12 solid electrolyte have been investigated. The series…

Germanium Selenide (GeSe) is a van der Waals-bonded layered material with promising optoelectronic properties, which has been experimentally synthesized for 2D semiconductor applications. In the monolayer, due to reduced dimensionality and,…

Superconductivity in ultra-doped $Si_{1-x}Ge_{x}:B$ epilayers is demonstrated by nanosecond laser doping, which allows introducing substitutional B concentrations well above the solubility limit and up to $7\,at.\%$. A Ge fraction $x$…

Semiconducting two-dimensional (2D) antiferromagnetic (AFM) transition-metal thiophosphates (MPS3) offer promising opportunities for spintronic applications due to their highly tunable electronic properties. While alloying and intercalation…

Graphene has vast promising applications on the nanoelectronics and spintronics because of its unique magnetic and electronic properties. Making use of an ab initio spin-polarized density functional theory, implemented by the method of…

For the past few years, 2D ferroelectric materials have attracted strong interest for their potential in future nanoelectronics devices. The recent discovery of 2D ferroelectricity in twisted layers of insulating hexagonal boron nitride,…

Nitrogen reduction reaction (NRR) which converts nitrogen (N2) to ammonia (NH3) normally requires harsh conditions to break the bound nitrogen bond. Herein, via first-principles calculation we reveal that a superior NRR catalytic activity…

Oxygen is widely used to tune the performance of chalcogenide phase-change materials in the usage of phase-Change random access memory (PCRAM) which is considered as the most promising next-generation non-volatile memory. However, the…

Explosive crystallization (EC) is often observed when using nanosecond-pulsed melt laser annealing (MLA) in amorphous silicon (Si) and germanium (Ge). The solidification velocity in EC is so fast that a diffusion-less crystallization can be…

We present a computational investigation into the effects of chemical doping with 15 different elements on phase stability and superconductivity in the LaH10 structure. Most doping elements were found to induce softening of phonon modes,…

Chemical doping has recently become a very important strategy to induce superconductivity especially in complex compounds. Distinguished examples include Ba-doped La$_2$CuO$_4$ (the first high temperature superconductor), K-doped BaBiO$_3$,…