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The spontaneous polarization of wurtzite III-V nitrides XN (X=Al, Ga, In) and II-VI oxides YO (Y=Be, Zn) is investigated via first-principles computational methods. The modern treatment defines this quantity as the polarization difference…

A re-ordered valence band in GaN/AlGaN quantum wells with respect to GaN epilayers has been found as a result of the observation of an enhanced g-factor in magneto-luminescence spectra in fields up to 55 T. This has been caused by a…

Condensed Matter · Physics 2009-11-07 P. A. Shields , R. J. Nicholas , N. Grandjean , J. Massies

We present out-of-plane dielectric and magnetodielectric measurements of single crystallines $\alpha$-RuCl$_3$ with various degrees of stack faults. A frequency dependent, but field independent, dielectric anomaly appears at…

Two-photon transition rates are investigated in resonance to the ground state in wurtzite GaN/AlN quantum dots. The ground state transition is two-photon allowed because of the electron-hole separation inherent to polar wurtzite III-nitride…

Mesoscale and Nanoscale Physics · Physics 2019-06-19 Stefan Thomas Jagsch , Ludwig Albrecht Thorsten Greif , Stephan Reitzenstein , Andrei Schliwa

While the properties of wurtzite GaAs have been extensively studied during the past decade, little is known about the influence of the crystal polytype on ternary (In,Ga)As quantum well structures. We address this question with a unique…

Polarization dependent Raman scattering experiments realized on single GaAs nanowires with different percentages of zinc-blende and wurtzite structure are presented. The selection rules for the special case of nanowires are found and…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 I. Zardo , S. Conesa-Boj , F. Peiro , J. R. Morante , J. Arbiol , E. Uccelli , G. Abstreiter , A. Fontcuberta i Morral

The wurtzite structure is one of the most frequently found crystal structures in modern semiconductors and its inherent spontaneous polarization is a defining materials property. Despite this significance, confusion has been rampant in the…

Materials Science · Physics 2025-05-07 Simon Fichtner , Mohamed Yassine , Chris van de Walle , Oliver Ambacher

We determine atomic and electronic structure, formation energy, stability and magnetic properties of native point defects, such as Gallium (Ga) and Nitrogen (N) vacancies in bulk and at non-polar (10$\overline{1}$0) surface of wurtzite…

Materials Science · Physics 2017-12-15 Sanjay Nayak , Mit H. Naik , Manish Jain , U. V. Waghmare , S. M. Shivaprasad

High spin states of cation vacancies in GaP, GaN, AlN, BN, ZnO and BeO were analyzed by first principles calculations. The spin-polarized vacancy-induced level is located in the band gap in GaP, ZnO and BeO. In the nitrides, the stronger…

Materials Science · Physics 2015-05-27 O. Volnianska , P. Boguslawski

Atomistic origin of stacking faults in non-close packed systems is a fundamentally distinct mechanism from the well-known close packed structures with ABC stacking, and represents an uncharted territory in material research. According to…

Materials Science · Physics 2024-07-22 Alphy George , T. Sreepriya , Arun Kumar Panda , R. Mythili , Arup Dasgupta , R. Divakar

Recently, there has been tremendous research interest in novel bismide semiconductor materials (such as GaBi$_x$As$_{1-x}$) for wavelength-engineered, low-loss optoelectronic devices. We report a first study of the quantum confined Stark…

Materials Science · Physics 2019-07-19 Muhammad Usman

The thermodynamics properties of the wurtzite and zinc-blende \InGaN alloys are calculated using first-principles density-functional calculations. Special quasi-random structures are used to describe the disordered alloys, for $x= 1/4,…

Materials Science · Physics 2007-05-23 Chee Kwan Gan , Yuan Ping Feng , David J. Srolovitz

Stacking fault energy dictates phase stability and deformation behavior in Co alloys and WC-Co cemented carbides, yet a quantitative assessment of alloying effects at finite temperatures remains poorly established. By integrating…

Twisted layers of atomically thin two-dimensional materials realize a broad range of novel quantum materials with engineered optical and transport phenomena arising from spin and valley degrees of freedom and strong electron correlations in…

We provide a detailed microscopic characterization of the influence of defects-induced disorder onto the Dirac spectrum of three dimensional topological insulators. By spatially resolved Landau-levels spectroscopy measurements, we reveal…

In this paper we present a detailed analysis of the atomic and electronic structure of GaAs nanowires using first-principles pseudopotential calculations. We consider six different types of nanowires with different diameters all grown along…

Materials Science · Physics 2010-12-24 S. Cahangirov , S. Ciraci

Stacking faults and other topological defects in ferroics can have a significant influence on the electronic and mechanical properties of the material. Here, regular stacking faults in the tetragonal tungsten bronze material…

In this work we investigate the electronic and optical properties of self-assembled InN/GaN quantum dots. The one-particle states of the low-dimensional heterostructures are provided by a tight-binding model that fully includes the wurtzite…

Other Condensed Matter · Physics 2016-08-31 N. Baer , S. Schulz , S. Schumacher , P. Gartner , G. Czycholl , F. Jahnke

We investigate the luminescence of Ga- and N-polar In$_{x}$Ga$_{1-x}$N/In$_{y}$Ga$_{1-y}$N quantum wells (QWs) grown by plasma-assisted molecular beam epitaxy on freestanding GaN as well as 6H-SiC substrates. In striking contrast to their…

Recent advances in growth techniques have allowed the fabrication of semiconductor nanostructures with mixed wurtzite/zinc-blende crystal phases. Although the optical characterization of these polytypic structures is well eported in the…

Mesoscale and Nanoscale Physics · Physics 2014-11-24 P. E. Faria Junior , T. Campos , G. M. Sipahi