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Basal-plane stacking faults are an important class of optically active structural defects in wurtzite semiconductors. The local deviation from the 2H stacking of the wurtzite matrix to a 3C zinc-blende stacking induces a bound state in the…

Materials Science · Physics 2016-02-23 Jonas Lähnemann , Uwe Jahn , Oliver Brandt , Timur Flissikowski , Pinar Dogan , Holger T. Grahn

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…

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…

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

The discovery of ferroelectricity in wurtzite nitrides has paved the way for measuring and understanding spontaneous polarization in III-V semiconductors. However, the calculation of polarization effects at heterointerfaces - crucial for…

Materials Science · Physics 2025-05-27 Jesus Cañas , Mohamed Yassine , Oliver Ambacher

Fundamental properties of spontaneous and piezo polarization are reformulated and critically reviewed. It was demonstrated that Landau definition of polarization as a dipole density could be used to the infinite systems. The difference…

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…

Materials Science · Physics 2024-07-25 Ding Wang , Danhao Wang , Samuel Yang , Zetian Mi

Modern polarization theory yields surface bound charge associated with spontaneous polarization of bulk. However, understanding polarization in nano systems also requires a proper treatment of charge transfer between surface dangling bonds.…

Materials Science · Physics 2021-09-01 Ke Yang , Zeyu Jiang , Duk-Hyun Choe , Damien West , Shengbai Zhang

Polaron binding energy and effective mass are calculated for semiconductors with wurtzite crystalline structure from the first order electron-phonon corrections to the self-energy. A recently introduced Frohlich-like electron-phonon…

Materials Science · Physics 2019-08-17 M. E. Mora-Ramos , F. J. Rodriguez , L. Quiroga

A complete knowledge of absolute surface energies with any arbitrary crystal orientation is important for the improvements of semiconductor devices because it determines the equilibrium and nonequilibrium crystal shapes of thin films and…

Materials Science · Physics 2018-07-18 Yiou Zhang , Jingzhao Zhang , Junyi Zhu

Spin-polarized photoemission from wurtzite and zinc-blende gallium nitride (GaN) photocathodes has been observed and measured for the first time. The p-doped GaN photocathodes were epitaxially grown and activated to negative electron…

Rocksalt ScN is a semiconductor with a small lattice mismatch to wurtzite GaN. Within the modern theory of polarization, ScN has a nonvanishing formal polarization along the [111] direction. As a result, we demonstrate that an interface…

Materials Science · Physics 2019-12-23 Nicholas L. Adamski , Cyrus E. Dreyer , Chris G. Van de Walle

Wurtzite ZnO can be substituted with up to ~30% MgO to form a metastable ZnMgO alloy while still retaining the wurtzite structure. Because this alloy has a larger band gap than pure ZnO, ZnMgO/ZnO quantum wells and superlattices are of…

Other Condensed Matter · Physics 2009-12-16 Andrei Malashevich , David Vanderbilt

Electrically generated spin polarization is probed directly in bulk GaN using Kerr rotation spectroscopy. A series of n-type GaN epilayers are grown in the wurtzite phase both by molecular beam epitaxy (MBE) and metalorganic chemical vapor…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 W. F. Koehl , M. H. Wong , C. Poblenz , B. Swenson , U. K. Mishra , J. S. Speck , D. D. Awschalom

Accurate values for polarization discontinuities between pyroelectric materials are critical for understanding and designing the electronic properties of heterostructures. For wurtzite materials, the zincblende structure has been used in…

Materials Science · Physics 2018-04-17 Cyrus E. Dreyer , Anderson Janotti , Chris G. Van de Walle , David Vanderbilt

We report first principles density functional calculations of the spontaneous polarizations, piezoelectric constants and elastic constants for the II-VI wurtzite structure ZnO, MgO and CdO. Using our self interaction corrected…

Materials Science · Physics 2021-03-30 Priya Gopal , Nicola Spaldin

The spontaneous and piezoelectric polarizations of III-nitrides considerably affect the operation of various III-nitride-based devices. We report an ab initio study of the spontaneous polarization (SP) and piezoelectric (PZ) constants of…

Applied Physics · Physics 2020-01-14 Kaikai Liu , Xiaohang Li

We present a theory of local electric polarization in crystalline solids and apply it to study the case of wurtzite group-III nitrides. We show that a local value of the electric polarization, evaluated at the atomic sites, can be cast in…

Materials Science · Physics 2013-12-06 Miguel A. Caro , Stefan Schulz , Eoin P. O'Reilly

Traditionally, photodetector is based on solid materials constructed PN junction, which needs many delicate growth technologies. Herein, we demonstrate the feasibility of polarized liquid triggered photodetector where the liquid is…

Applied Physics · Physics 2022-07-01 Chang Liu , Yanghua Lu , Xutao Yu , Can Wang , Runjiang Shen , Shisheng Lin

The optical emission of non-polar GaN/AlN quantum dots has been investigated. The presence of stacking faults inside these quantum dots is evidenced in the dependence of the photoluminescence with temperature and excitation power. A…

Mesoscale and Nanoscale Physics · Physics 2016-01-20 J. A. Budagosky , N. Garro , A. Cros , A. García-Cristóbal , S. Founta , B. Daudin
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