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The electronic structure of CoO is studied by resonant inelastic soft X-ray scattering spectroscopy using photon energies across the Co 2p absorption edges. The different spectral contributions from the energy-loss structures are identified…

Materials Science · Physics 2012-01-04 M. Magnuson , S. M. Butorin , J. -H. Guo , J. Nordgren

The search for new wide band gap materials is intensifying to satisfy the need for more advanced and energy efficient power electronic devices. Ga$_2$O$_3$ has emerged as an alternative to SiC and GaN, sparking a renewed interest in its…

Most III-V semiconductors, which acquire the zinc-blende phase as bulk materials, adopt the metastable wurtzite phase when grown in the form of nanowires. These are new semiconductors with new optical properties, in particular, a different…

Mesoscale and Nanoscale Physics · Physics 2014-02-27 L. C. O. Dacal , A. Cantarero

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…

Van der Waals (vdW) heterostructures, which combine bi-dimensional materials of different properties, enable a range of quantum phenomena. Here, we present a comparative study between the electronic properties of mono- and bi-layer of…

We report a detailed theoretical study of the structural, vibrational, and optical properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave…

Materials Science · Physics 2015-06-17 S. Appalakondaiah , G. Vaitheeswaran , S. Lebegue

The surface and electronic structure of MOCVD-grown layers of Ga(0.92)In(0.08)N have been investigated by means of photoemission. An additional feature at the valence band edge, which can be ascribed to the presence of In in the layer, has…

We have measured the optical constants of GaMnAs from 0.62 eV to 6 eV, using spectroscopic ellipsometry. The second derivatives of the dielectric function are examined through a critical point analysis. The E1 critical point shifts to…

Materials Science · Physics 2007-05-23 K. S. Burch , J. Stephens , R. K. Kawakami , D. D. Awschalom , D. N. Basov

We study the electronic structures and dielectric functions of the simple hydrides LiH, NaH, MgH2 and AlH3, and the complex hydrides Li3AlH6, Na3AlH6, LiAlH4, NaAlH4 and Mg(AlH4)2, using first principles density functional theory and GW…

Materials Science · Physics 2007-05-23 M. J. van Setten , V. A. Popa , G. A. de Wijs , G. Brocks

We present an experimental investigation of band-gap shrinkage in n-type GaN using photoluminescence spectroscopy, as a function of electron concentration and temperature. The observed systematic shift of the band-to-band transition energy…

Materials Science · Physics 2007-05-23 Niladri Sarkar , Subhasis Ghosh

We present first-principles electronic structure calculations of Mn doped III-V semiconductors based on the local spin-density approximation (LSDA) as well as the self-interaction corrected local spin density method (SIC-LSD). We find that…

Materials Science · Physics 2015-06-25 T. C. Schulthess , W. M. Temmerman , Z. Szotek , A. Svane , L. Petit

Present work investigates the structural, electronic and magnetic properties of wurtzite (0001) GaN nanowires (NWs) doped with Gd and point defects by employing the GGA+U approximation. We find that Ga vacancies (VGa) exhibit lower…

Materials Science · Physics 2015-11-09 Assa Aravindh S , Iman S Roqan

UV emitters based on the semiconductor alloy aluminium gallium nitride, (Al,Ga)N, have attracted significant interest in recent years due to their potential for optoelectronic devices. To guide the design of such devices with improved…

Materials Science · Physics 2025-05-27 Amit Kumar Singh , Alvaro Gomez-Iglesias , Stefan Schulz

We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to…

Materials Science · Physics 2015-05-28 J. A. McLeod , A. V. Lukoyanov , E. Z. Kurmaev , L. D. Finkelstein , A. Moewes

With the aim of investigating the possible integration of opto-electronic devices, epitaxial GaN layers have been grown on Si(111) SOI and on Si/CoSi2/Si(111) using metalorganic chemical vapor deposition. The samples are found to possess a…

Materials Science · Physics 2009-11-11 Shengqiang Zhou , A. Vantomme , B. S. Zhang , H. Yang , M. F. Wu

Using cyclotron resonance, we measure the effective mass, $m$*, of electrons in AlGaN/GaN heterostructures with densities, $n_{2D}\sim 1-6\times10^{12}$cm$^{-2}$. From our extensive data, we extrapolate a band edge mass of $(0.208\pm0.002)…

Condensed Matter · Physics 2009-11-10 S. Syed , J. B. Heroux , Y. J. Wang , M. J. Manfra , R. J. Molnar , H. L. Stormer

The electronic structure and structural evolution of hydrogenated graphene are investigated by Raman spectroscopy with multiple excitations. The excitation energy dependent saturation effect on the ratio of integrated intensities of D and G…

Materials Science · Physics 2010-12-06 Zhiqiang Luo , Ting Yu , Zhenhua Ni , Sanhua Lim , Jingzhi Shang , Hailong Hu , Lei Liu , Zexiang Shen , Jianyi Lin

A detailed investigation by one-step photoemission calculations of the GaN(0001)-(1x1) surface in comparison with recent experiments is presented in order to clarify its structural properties and electronic structure. The discussion of…

Condensed Matter · Physics 2009-10-31 T. Strasser , C. Solterbeck , F. Starrost , W. Schattke

We have studied the electronic structure of InN and GaN employing G0W0 calculations based on exact-exchange density-functional theory. For InN our approach predicts a gap of 0.7 eV. Taking the Burnstein-Moss effect into account, the…

Understanding the luminescence of GaN doped with erbium (Er) requires a detailed knowledge of the interaction between the rare-earth dopant and the nitride host, including intrinsic defects and other impurities that may be present in the…

Materials Science · Physics 2017-10-30 Khang Hoang
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