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First-principles prediction of magnetically ordered half-metals above room temperature

Journal of Materiomics 2019年第3期5卷 404-412页

作者： Muhammad atif Sattar S.Aftab Ahmad Fayyaz Hussain Claudio Cazorla Department of Physics The Islamia University of Bahawalpur63100BahawalpurPakistan School of Materials Science and Engineering UNSW SydneyNSW2052Australia Department of Physics Bahauddin Zakariya University60800MultanPakistan

Half-metallicity(HM)offers great potential for engineering spintronic applications,yet only few magnetic materials present metallicity in just one spin *** addition,most HM systems become magnetically disordered at temperatures well below ambient conditions,which further hinders the development of spin-based electronic ***,we use first-principles methods based on density functional theory(DFT)to investigate the electronic,magnetic,structural,mixing,and vibrational properties of 90 XYZ half-Heusler(HH)alloys(X=Li,na,K,Rb,Cs;Y=V,Nb,Ta;Z=Si,Ge,Sn,S,Se,Te).We disclose a total of 28 new HH compounds that are ferromagnetic,vibrationally stable,and HM,with semiconductor band gaps in the range of 1-4 eV and HM band gaps of 0.2-0.8 *** performing Monte Carlo simulations of a spin Heisenberg model fitted to DFT energies,we estimate the Curie temperature,T_(C),of each HM *** find that 17 HH HM remain magnetically ordered at and above room temperature,namely,300≤T_(C)≤450 K,with total magnetic moments of 2 and 4 mB.A further materials sieve based on zero-temperature mixing energies let us to conclude 5 overall promising HH HM that remain magnetically ordered at and above room temperature:naVSi,RbVTe,CsVS,CsVSe,and *** also predict 2 semiconductor materials that are ferromagnetic at ambient conditions:LiVSi and LiVGe.

关键词： magnetic ordered mixing

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Study of Bacterial Samples Using Laser Induced Breakdown Spectroscopy

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Plasma Science and Technology 2014年第12期16卷 1141-1146页

作者： W A FAROOQ M atif W TAWFIK M S ALSALHI Z A ALAHMED M SARFRAZ J P SINGH Physics and Astronomy Department College of ScienceKing Saud UniversityRiyadh 11451Saudi Arabia national Institute of Laser and Optronics NiloreIslamabadPakistan national Institute of Laser Enhanced Sciences NILES Department of Environmental ApplicationsCairo UniversityCairoEgypt Sustainable Energy Technologies Centre King Saud UniversityRiyadhSaudi Arabia Institute for Clean Energy Technology Mississippi State UniversityStarkvilleMS 39759USA

Laser-induced breakdown spectroscopy （LIBS） technique has been applied to inves- tigate two different types of bacteria, Escherichia coli （B1） and Micrococcus luteus （B2） deposited on glass slides using Spectrolaser 7000. LIBS spectra were analyzed using spectrolaser software. LIBS spectrum of glass substrate was compared with bacteria spectra. Ca, Mg, na, K, P, S, C1, Fe, A1, Mn, Cu, C, H and CN-band appeared in bacterial samples in air. Two carbon lines at 193.02 nm, 247.88 nm and one hydrogen line at 656.28 nm with intensity ratios of 1.9, 1.83 and 1.53 appeared in bacterial samples B1 and B2 respectively. Carbon and hydrogen are the important components of the bio-samples like bacteria and other cancer cells. Investigation on LIBS spectra of the samples in He and Ar atmospheres is also presented. Ni lines appeared only in B2 sample in Ar atmosphere. From the present experimental results we are able to show that LIBS technique has a potential in the identification and discrimination of different types of bacteria.

关键词： laser induced breakdown bacteria bio-samples and carbon lines

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