DFT Investigations of Ti, V Doped ZnO Based Diluted Magnetic Semiconductors

The injection impurity element into ZnO has added new dimension to its versatile applications particularly in spintronics and optoelectronics. In this work, we are reporting effect of non magnetic Ti, and magnetic V impurities in ZnO. The substitution of impurity atoms have been done in ground state wurtzite (WZ) and meta stable zinc-blende (ZB) structure. Our investigations have revealed a small difference in WZ and ZB geometries of contaminated ZnO reflecting on the possibility of their experimental fabrication. Spin polarized electronic structures resembled nonmagnetic nature of Ti:ZnO in WZ and magnetic nature in ZB geometry. Similarly introduction of V in to ZnO induced magnetization in ZnO in both WZ and ZB geometry. For these investigations, we have adapted DFT approach using FP-L(APW+lo) method implemented in WIEN2k code.

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Spin-Polarized Structural, Electronic, and Magnetic Properties of Diluted Magnetic Semiconductors Cd1−xMnxS and Cd1−xMnxSe in Zinc Blende Phase

The Journal of Physical Chemistry A ◽

10.1021/jp900698q ◽

2009 ◽

Vol 113 (20) ◽

pp. 6022-6027 ◽

Cited By ~ 37

Author(s):

S. Nazir ◽

N. Ikram ◽

M. Tanveer ◽

A. Shaukat ◽

Y. Saeed ◽

...

Keyword(s):

Magnetic Properties ◽

Diluted Magnetic Semiconductors ◽

Magnetic Semiconductors ◽

Electronic And Magnetic Properties ◽

Zinc Blende ◽

Spin Polarized ◽

Diluted Magnetic

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Spin-polarized structural, electronic and magnetic properties of diluted magnetic semiconductors Cd1−xMnxTe in zinc blende phase

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2010.09.016 ◽

2011 ◽

Vol 323 (5) ◽

pp. 394-399 ◽

Cited By ~ 29

Author(s):

U.P. Verma ◽

Sonu Sharma ◽

Nisha Devi ◽

P.S. Bisht ◽

P. Rajaram

Keyword(s):

Magnetic Properties ◽

Diluted Magnetic Semiconductors ◽

Magnetic Semiconductors ◽

Electronic And Magnetic Properties ◽

Zinc Blende ◽

Spin Polarized ◽

Diluted Magnetic

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Annealing temperature enhanced visible absorption and magnetic properties of (Cu, Cr) co-doped ZnO diluted magnetic semiconductors

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131536 ◽

2022 ◽

Vol 1249 ◽

pp. 131536

Author(s):

R. Kabilan ◽

M. Ashokkumar

Keyword(s):

Magnetic Properties ◽

Diluted Magnetic Semiconductors ◽

Annealing Temperature ◽

Magnetic Semiconductors ◽

Visible Absorption ◽

Doped Zno ◽

Diluted Magnetic ◽

Co Doped

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Synthesis and characterization of Mn-doped ZnO diluted magnetic semiconductors

Physica B Condensed Matter ◽

10.1016/j.physb.2015.08.001 ◽

2015 ◽

Vol 477 ◽

pp. 20-28 ◽

Cited By ~ 14

Author(s):

A. Abdel-Galil ◽

M.R. Balboul ◽

A. Sharaf

Keyword(s):

Diluted Magnetic Semiconductors ◽

Magnetic Semiconductors ◽

Synthesis And Characterization ◽

Doped Zno ◽

Diluted Magnetic ◽

Mn Doped

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Investigation on Mo-doped SnO2 for potential use in magnetoelectronic applications: The DFT framework

International Journal of Modern Physics B ◽

10.1142/s0217979220500204 ◽

2020 ◽

Vol 34 (05) ◽

pp. 2050020

Author(s):

Younes Ziat ◽

Maryama Hammi ◽

Zakaryaa Zarhri ◽

Charaf Laghlimi ◽

Rachid Bouachraoui ◽

...

Keyword(s):

Density Functional ◽

Diluted Magnetic Semiconductors ◽

Magnetic Semiconductors ◽

Mean Field ◽

Field Approximation ◽

Mean Field Approximation ◽

Present System ◽

The Density Functional Theory ◽

Spin Polarized ◽

Diluted Magnetic

The goal of this paper is to study the effect of the small amount of molybdenum-doped [Formula: see text] on the magnetism behavior of that system. We utilized the density functional theory (DFT): DFT framework within MACHIKANEYAMA2002V09 package based on Coherent Potential Approximation (CPA). Inducing the magnetism in the diluted magnetic semiconductors (DMS) with a low dopant concentration at adequate room-temperature is a challenge, so, we restricted the Mo impurity at 2%. In addition, the small amount of Mo-doped [Formula: see text] is found optimal in many studies related to other fields. The ferromagnetic stability is observed in [Formula: see text] system, since the [Formula: see text] state of Mo element is found around the Fermi level and is 100% spin polarized, the half-metallic characteristic is useful in magnetoelectronic applications. Within the mean-field approximation (MFA) we predict the Curie temperature, as an obtained value, the [Formula: see text] K, consequently, the present system showed potential promise for real applications.

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