Related papers: Lanthanide impurities in wide bandgap semiconducto…
A report of progress in spintronics-related works involving group III nitrides is given emphasizing contradictory opinions concerning basics characteristics of these materials. The actual position of magnetic impurities in the GaN lattice…
We have studied the effect of non-magnetic Zn impurities in the coupled spin-ladder Bi(Cu1xZnx)2PO6 using 31P NMR, muSR and Quantum Monte Carlo simulations. Our results show that the impurities induce in their vicinity antiferromagnetic…
We report calculated, electronic and related properties of wurtzite and zinc blende gallium nitrides (w-GaN, zb-GaN). We employed a local density approximation (LDA) potential and the linear combination of atomic orbital (LCAO) formalism.…
InGaN light-emitting diodes (LEDs) are more efficient and cost effective than incandescent and fluorescent lighting, but lattice mismatch limits the thickness of InGaN layers that can be grown on GaN without performance-degrading…
Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite the widespread…
Polarization arising from non-centrosymmetric wurtzite lattice underpins the physics and functionality of gallium nitride (GaN)-the most produced semiconductor materials second only to silicon. However, recent direct experimental…
Inhomogeneous electronic states resulting from entangled spin, charge, and lattice degrees of freedom are hallmarks of strongly correlated electron materials; such behavior has been observed in many classes of d-electron materials,…
A study of the mobility of n-doped wurtzite and zincblende ZnS is reported. We have determined nonequilibrium thermodynamic state of the ZnS, driven far away from equilibrium by a strong electric field, in the steady state. The dependence…
Recent progress in understanding and controlling spintronic properties of (Ga,Mn)As and related compounds is contrasted to diverging experimental and theoretical results concerning the origin of high temperature ferromagnetism discovered in…
We report a new biphasic crystalline wurtzite/zinc-blende homostructure in gallium nitride nanowires. Cathodoluminescence was used to quantitatively measure the wurtzite and zinc-blende band gaps. High resolution transmission electron…
We study impurity bound states and impurity-induced order in the superconducting state of LiFeAs within a realistic five-band model based on the band structure and impurity potentials obtained from density functional theory (DFT). In…
The thermoelectric properties of scandium nitride are strongly influenced by structural and electronic factors arising from defects and impurities. Nevertheless, the mechanisms by which these microscopic features affect transport are not…
As electricity grids become more renewable energy-compliant, there will be a need for novel semiconductors that can withstand high power, high voltage, and high temperatures. Wide band gap (WBG) semiconductors tend to exhibit large…
Lanthanide (Ln) based systems in the ZrSiS-type nodal-line semimetals have been subjects of research investigations as grounds for studying the interplay of topology with possible magnetic ordering and electronic correlations that may…
The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2O3, Ln=La...Lu) were calculated by a two-way crossover search for the U parameters for DFT+U…
First-principles density-functional calculations have been performed for zinc monochalcogenides with zinc-blende- and wurtzite-type structures. It is shown that the local-density approximation underestimates the band gap, misplaces the…
The anharmonic phenomena in Zirconium Hydrides and Deuterides, including {\epsilon}-ZrH2, {\gamma}-ZrH, and {\gamma}-ZrD, have been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the…
Hybrid functionals and empirical correction schemes are compared to conventional semi-local density functional theory (DFT) calculations in order to assess the predictive power of these methods concerning the formation energy and the charge…
In this paper, we investigate how two on-side doped impurities with net magnetic moments in an edge chain of a zigzag phosphorene nanoribbon~(zPNR) can be entangled by scattering of the traveling edge-state electrons. To this end, in the…
We investigate the effect of basal-plane stacking faults on the structural, electronic, and polarization properties of wurtzite GaN and ZnO. This theoretical study is performed within density-functional theory (DFT) using periodic hexagonal…