First-principles calculations on magnetism of transition metal doped zinc oxide

Yun, Sun Young; Cha, Gi-Beom; Kwon, Young-Soon; Cho, Sunglae; Hong, Soon Cheol

doi:10.1016/j.jmmm.2003.12.566

Cited by 21 publications

(7 citation statements)

References 4 publications

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“…Similarly, for Fe, Co, and Ni doping, the spin-down states perform the same function. It was suggested that Mn and Cr doping would not lead to strong magnetization due to a small hybridization [4], [46], [47], although other reports suggest otherwise.…”

Section: Mechanisms For Ferromagnetismmentioning

confidence: 99%

ZnO Doped With Transition Metal Ions

Pearton

Norton

Mil

et al. 2007

IEEE Trans. Electron Devices

143

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Spin-dependent phenomena in ZnO may lead to devices with new or enhanced functionality, such as polarized solidstate light sources and sensitive biological and chemical sensors. In this paper, we review the experimental results on transition metal doping of ZnO and show that the material can be made with a single phase at high levels of Co incorporation (∼15 at.%) and exhibits the anomalous Hall effect. ZnO is expected to be one of the most promising materials for room-temperature polarized light emission; but to date, we have been unable to detect the optical spin polarization in ZnO. The short spin relaxation time observed likely results from the Rashba effect. Possible solutions involve either cubic phase ZnO or the use of additional stressor layers to create a larger spin splitting in order to get a polarized light emission from these structures or to look at alternative semiconductors and fresh device approaches.

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Section: Mechanisms For Ferromagnetismmentioning

confidence: 99%

ZnO Doped With Transition Metal Ions

Pearton

Norton

Mil

et al. 2007

IEEE Trans. Electron Devices

143

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“…9 The doping of 4d transition metals in ZnO, like Ag doping for optical and electrical properties, 10 Pd doping for humidity sensing, 11 Nb doping for transparent conducting oxide, 12 Cd doping for electrical properties 13 and Zr doping for getting lower resistivity was undertaken by many researchers. 14 Yun et al 15 calculated theoretically the electronic structure and magnetism of 3d and 4d TM-doped ZnO (TM ¼ Ti, Cr, Mn, Fe, Co, Ni, Ru, Pd, and Ag), using the highly precise full-potential linearized augmented plane wave (FLAPW) method. High sensitivity of Ru-doped ZnO nanoparticles has been synthesized by simple citrate gel route by Navale et al 16 Hsi et al 17 suggested that the substitution of Ru ions in the Zn ion position provided two free electrons additionally that categorically in°uenced the microstructure and a modi¯cation in the electrical behavior of Al-doped ZnO thin¯lm.…”

Section: Introductionmentioning

confidence: 99%

Effect of Ruthenium Concentration on Structural and I-V Characteristics of ZnO Thin Films by Sol–Gel Method

Vettumperumal¹,

Kalyanaraman²,

Thangavel

2017

J. Mol. Eng. Mater.

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Nanocrystalline ruthenium (Ru)-doped ZnO thin¯lms on sapphire substrate was prepared using sol-gel method by spin coating technique. The structural and I-V characteristics of Ru doped ZnO thin¯lms were studied from the X-ray di®raction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM) analysis and Raman spectroscopy. X-ray di®raction (XRD) results revealed that the deposited¯lms belonged to hexagonal wurtzite structure with c-axis orientation. It is also con¯rmed from the Raman spectra. Enhancement of longitudinal optical (LO) phonon is observed by the strong electron-phonon interaction. An observed increment in sheet resistance with increase in dopant percentage of Ru (1-2 mol%) in ZnO¯lms was found and better I-V characteristic behavior was observed at 1 mol% of Ru-doped ZnO thin lms. Trap limited current°ow inside the material was calculated from the log I versus log V plot in the higher voltage region.

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“…Furthermore, since Dietl et al 5 have predicted that p‐type ZnO‐based DMS could exhibit room‐temperature ferromagnetism with transition elements such as Mn, there have been several studies of ZnO doped with 3d transition metals 6, 7. Several 3d transition metal (TM)‐doped ZnO films have been prepared since the thermal equilibrium solubility of transition‐metals in the host materials is higher than 10 mol% 8. However, considerable effort has so far gone into the study of 3d transition metals, such as Mn 9, Cr 10, Ni 11 and Co 12 dopants in ZnO semiconductor.…”

Section: Introductionmentioning

confidence: 99%

Magnetic ordering and electronic properties of Pd‐doped ZnO

González‐Hernández

López‐Pérez

Rodríguez

2011

Physica Status Solidi (b)

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We carried out first-principles spin-polarized calculations in order to provide comprehensive information regarding the structural, electronic and magnetic properties of the Pd x Zn 1-x O (with x ¼ 0.0625) semiconductor. The highly accurate allelectron full-potential linearized augmented plane wave method was used to calculate total energy and electronic structure of the Pd-doped ZnO semiconductor. The recently developed Wu-Cohen generalized gradient approximation to the exchange correlation functional was adopted. The results indicate that the ferromagnetic ground state originates from the strong hybridization between Pd-4d and O-2p states, which is in agreement with previous studies on 4d doping in wide gap semiconductors. This article shows that 4d transition metals such as palladium may also be considered as candidates to explore new half-metallic ferromagnetism in semiconductors. This study gives new clues to the fabrication of diluted magnetic semiconductors.ß 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim 1 Introduction The possibility of manipulating the spin of the electron, as well as the charge, opens up fascinating routes for processing information and data storage. This is particularly exciting in terms of semiconductor spintronics, where conventional charge-based electronics could be replaced with devices possessing both spin and charge functionality. Dilute magnetic semiconductors (DMS) are being actively investigated in the development of spintronic devices. While there has been much work on the III-V DMS materials, notably (In,Mn)As and (Ga,Mn)As, their ferromagnetic Curie temperatures (T c ) (90 K for (In,Mn)As [1] and 172 K for (Ga,Mn)As [2]) are too low for practical applications. The realization of practical commercial or mobile devices will require the development of semiconductors that can retain their magnetic properties above room temperature. As a result, significant research effort has been focused on developing alternative DMS materials with higher Curie temperatures [3]. In particular, the investigation of ZnO has attracted a great deal of attention because ZnO-based DMS has been viewed as a promising candidate for the realization of a near-or aboveroom-temperature ferromagnetic semiconductors [4].Zinc oxide (ZnO) is a wide band gap semiconductor with optoelectronic properties that make it an attractive candidate

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First-principles calculations on magnetism of transition metal doped zinc oxide

Cited by 21 publications

References 4 publications

ZnO Doped With Transition Metal Ions

ZnO Doped With Transition Metal Ions

Effect of Ruthenium Concentration on Structural and I-V Characteristics of ZnO Thin Films by Sol–Gel Method

Magnetic ordering and electronic properties of Pd‐doped ZnO

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