Investigations of Electronic Structure and Half-Metallic Ferromagnets in Cr-Doped Zinc-Blende BeS Semiconductor

Mokaddem, Allel; Doumi, Bendouma; Sayede, Adlane; Bensaid, Djillali; Tadjer, A.; Boutaleb, M.

doi:10.1007/s10948-014-2828-1

Cited by 23 publications

(10 citation statements)

References 80 publications

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“…BeS, BeSe, and BeTe all crystallize at ambient pressure in the zincblende structure. Alloyed M x Be 1– x Ch compounds (M = V, Cr, C) have been investigated computationally for their ferromagnetism , but not yet as intensively for electronic properties. BeS crystallizes in a zincblende phase, with an exceptionally high reported indirect gap of ∼5.5 eV, and high pressure wurtzite and nickeline polymorphs have been computationally predicted.…”

Section: Methodsmentioning

confidence: 99%

Wide Band Gap Chalcogenide Semiconductors

et al. 2020

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Wide band gap semiconductors are essential for today's electronic devices and energy applications due to their high optical transparency, as well as controllable carrier concentration and electrical conductivity. There are many categories of materials that can be defined as wide band gap semiconductors. The most intensively investigated are transparent conductive oxides (TCOs) such as tin-doped indium oxide (ITO) and amorphous In-Ga-Zn-O (IGZO) used in displays, carbides (e.g. SiC) and nitrides (e.g. GaN) used in power electronics, as well as emerging halides (e.g. g-CuI) and 2D electronic materials (e.g. graphene) used in various optoelectronic devices. Compared to these prominent materials families, chalcogen-based (Ch = S, Se, Te) wide band gap semiconductors are less heavily investigated but stand out due to their propensity for ptype doping, high mobilities, high valence band positions (i.e. low ionization potentials), and broad applications in electronic devices such as CdTe solar cells. This manuscript provides a review of wide band gap chalcogenide semiconductors. First, we outline general materials design parameters of high performing transparent conductors, as well as the theoretical and experimental underpinnings of the corresponding research methods. We proceed to summarize progress in wide band gap (E G > 2 eV) chalcogenide materials, such as II-VI MCh binaries, CuMCh 2 chalcopyrites, Cu 3 MCh 4 sulvanites, mixed anion layered CuMCh(O,F), and 2D materials, among others, and discuss computational predictions of potential new candidates in this family, highlighting their optical and electrical properties. We finally review applications of chalcogenide wide band gap semiconductors, e.g. photovoltaic and photoelectrochemical solar cells, transparent transistors, and light emitting diodes, that employ wide band gap chalcogenides as either an active or passive layer. By examining, categorizing, and discussing prospective directions in wide band gap chalcogenides, this review aims to inspire continued research on this emerging class of transparent conductors and to enable future innovations for optoelectronic devices.

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Section: Methodsmentioning

confidence: 99%

Wide Band Gap Chalcogenide Semiconductors

et al. 2020

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“…The generalized gradient approximation functional proposed by Wu and Cohen (WC-GGA) [41] was used for the exchange correlation potential due to its better performance for structural optimization [4,22,24,[45][46][47][48], resulting from the fourth-order gradient expansion of exchange-correlation functional [41,47]. This new functional is more accurate for solids than any existing GGA and meta-GGA forms [48].…”

Section: Methods Of Calculationsmentioning

confidence: 99%

“…The Al 1-x TM x P (TM ¼V and Cr) compounds with concentration x ¼0.0625 are obtained by substituted of one Al cation site at position (0, 0, 0) by one (TM¼ V and Cr) atom in supercell of 32 atoms. We get the Al 0.9375 V 0.0625 P and Al 0.9375 Cr 0.0625 P (1 Â 2 Â 2) supercells of 32 atoms with concentration x¼0.0625 of tetragonal structure [12,14,22,24,46] with space group of 111 (P42m) as shown in Fig. 1.…”

Section: Optimization Of Crystal Structuresmentioning

confidence: 99%

First-principle investigation of magnetic and electronic properties of vanadium- and chromium-doped cubic aluminum phosphide

Doumi

Mokaddem

Ishak-Boushaki

et al. 2015

Materials Science in Semiconductor Processing

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“…2,3 Diluted magnetic semiconductors (DMSs) are particularly relevant to spintronics devices due to the fact that their Curie temperatures are higher than room temperature and because of their half-metallic ferromagnetic (HMF) behavior. 4 They show stable ferromagnetism at temperatures above room temperature. 5,6 The HMF character is considered an important factor with respect to spin injection carriers for spintronics; however, the electronic structure of DMSs combines both metallic and semiconductor characteristics, having a metallic nature in one spin channel and a band gap at the Fermi level in the opposite spin direction, 7 and thus the DMS shows a HMF feature.…”

Section: Introductionmentioning

confidence: 99%