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DFT investigation of half-metallic ferromagnetic rare earth based spinels mgHo_(2)Z_(4)(Z=S,Se)

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Journal of Rare Earths 2024年第1期42卷 121-128,I0005页

作者： maiza Zanib mumtaz manzoor N.A.Noor m.Waqas Iqbal mazia Asghar H.H.Hegazy A.Laref Department of Physics Riphah International UniversityLahore CampusPakistan Research Centre for Advanced materials Science King Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics and Astronomy College of ScienceKing Saud UniversityRiyadh11451Saudi Arabia

Half-metallic ferromagnetism,mechanical as well as thermoelectric properties for rare earth-based spinels mgHo_(2)Z_(4)(Z=S,Se)were investigated using density functional theory(DFT).Structural optimization was done with Perdew-Burke-Ehrenzorf(PBE)sol-generalized gradient approximation(GGA)to calculate the lattice constant of both spinels comparable to experimental *** addition,Born stability criteria and negative formation energy show that our studied spinels are also structurally and dynamically stable in the cubic *** ferromagnetic(Fm)state stability,we also calculated the energy differences among Fm,antiferromagnetic(AFm),and non-magnetic(Nm)***,Curie temperatures of ferromagnetic phases were also *** used Trans-Blaha improved BeckeJohnson(TB-mBJ)potential functional for electronics as well as magnetic characteristics,which lead to the consistent explanation of half-metallic ferromagnetism,representing the whole band-occupancy in material with exact detail of density of states(DOS).The stable Fm state was examined in spinels due to the exchange splitting of Ho cation consisting of p-d hybridizations compatible with the result achieved for electronics band structure and ***,spin magnetic moment was explained in terms of anion,cation,and sharing charge on studied *** addition,the calculated thermoelectric properties clearly show that operation range of these systems may be utilized by future experimental works for identifying the potential applications of these systems.

关键词： Ho-based spinels DFT simulations mechanical parameters Electronic properties hm ferromagnetism Figure of merit

Bandgap engineering to tune the optical properties of Be_xmg_(1-x)X(X=S, Se, Te) alloys

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Chinese Physics B 2018年第1期27卷 415-423页

作者： B Sabir N A Noor m Rashid Fasih ud Din Shahid m Ramay Asif mahmood Centre for Advanced Studies in Physics Government College University Department of Physics School of Science University of Management and TechnologyLahore Pakistan Department of Physics COMSATS Institute of Information Technology Physics and Astronomy Department College of Science King Saud University Chemical Engineering Department College of Engineering King Saud University

Structural, electronic, and optical properties of alloys Bexmgl-xX （X = S, Se, Te） in the assortment 0 〈 x 〈 1 were theoretically reported for the first time in zinc-blende （ZB） phase. The calculations were carried out by using full-potential linearized augmented plane wave plus local orbitals （FP-LAPW＋lo） formalism contained by the framework of density functional theory （DFT）. Wu--Cohen （WC） generalized gradient approximation （GGA）, based on optimization energy, has been applied to calculate these theoretical results. In addition, we used Becke and Johnson （mBJ-GGA） potential, modified form of GGA functional, to calculate electronic structural properties up to a high precision degree. The alloys were composed with the concentrations x = 0.25, 0.5, and 0.75 in pursuance of ＇special quasi-random structures＇（SQS） approach of Zunger for the restoration of disorder around the observed site of alloys in the first few shells. The structural parameters have been predicted by minimizing the total energy in correspondence of unit cell volume. Our alloys established direct band gap at different concentrations that make their importance in optically active materials. Furthermore, density of states was discussed in terms of the contribution of Be and mg s and chalcogen （S, Se, and Te） s and p states and observed charge density helped us to investigate the bonding nature. By taking into consideration of immense importance in optoelectronics of these materials, the complex dielectric function was calculated for incident photon energy in the range 0--15 eV.

关键词： Bexmgl-xX (X = S Se Te) alloys zinc-blende (ZB) phase density functional theory (DFT),electronic and optical properties

Hematology and Some Biochemical Parameters of Wild Rodents in Pistachio Gardens of Kerman Province, Southeast Iran

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应用与环境生物学报 2011年第6期17卷 907-909页

作者： mADJDZADEH Sm ABBASNEJAD m TAKALLOOZADEH hm mammalian Biodiversity Research Unit Department of Biology Faculty of Sciences Shahid Bahonar University of Kerman 76169-14111 Kerman Iran Department of Plant Pathology Faculty of Agriculture Shahid Bahonar University of Kerman 76169-14111 Kerman Iran

Wild rodents were collected using live snap traps in pistachio gardens of Kerman Province, Southeast Iran from 2007 to 2009, then some physiological parameters of them were measured. The samples were identified as follow: Nesokia indica, meriones persicus, meriones lybicus and Tatera indica. Blood samples were obtained from the heart, then the blood parameters (glucose, cholesterol, triglyceride, total protein, HDL, red and white blood cell number) in wild species of rodents and laboratory rat were compared. The results showed that there were no significant differences in serum glucose, triglyceride, HDL and total protein levels among different experimental groups. The concentration of cholesterol in T. indica was more than that in N. indica (P mbers of red blood cells also showed significant difference between wild garden rodent species and laboratory rat (P mbers of white blood cells showed no significant difference.

关键词： rodents hematological parameter biochemical parameter pistachio gardens Kerman Province, Iran

Finite-element-analysis models for numerical simulation of partial discharges in spherical cavities within solid dielectrics:a review and a novel method

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High Voltage 2020年第5期5卷 556-568页

作者： Johnatan m.Rodríguez-Serna Ricardo Albarracín-Sánchez Abdullahi A.mas'ud Department of Electrical and Electronic Engineering Automatic Controland Applied PhysicsSchool of Industrial Design and Engineering(ETSIDI)Universidad Politécnica de Madrid(UPM)Ronda de Valencia 328012MadridSpain 2Department of Electrical EngineeringUniversidad de AntioquiaCalle 67 No.53-108MedellínColombia 3Department of Electrical and Electronic Engineering TechnologyJubail Industrial College31961JubailSaudi Arabia

During the last two decades,partial discharges(PDs)modelling methods have been used as a complement of insulation diagnosis systems of electrical ***-element-analysis models for simulating PDs in cavities within solid dielectric materials are reviewed and a novel model is presented,which combines the main advantages of electrostatic and electric current *** theoretical background is presented and some limitations and restrictions are discussed.A case of study was implemented for three different ageing conditions and simulation results exhibit good agreement with reported values by other authors in the *** analysis of variations of PD behaviour with ageing as a function of temperature and pressure is briefly *** is concluded that more research is needed to include physical and chemical interactions on the void surface and that the cavity surface conductivity plays a fundamental role in the PD simulations at advanced ageing conditions.

关键词： element analysis solid

Foliar Application of Cytokinin modulates Gas Exchange Features,Water Relation and Biochemical Responses to Improve Growth Performance of maize under Drought Stress

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Phyton-International Journal of Experimental Botany 2022年第3期91卷 633-649页

作者： m.Rafiqul Islam m.Shahinur Islam Nurunnaher Akter mohammed mohi-ud-Din mohammad Golam mostofa Department of Agronomy Bangabandhu Sheikh Mujibur Rahman Agricultural UniversityGazipur1706Bangladesh Department of Crop Botany Bangabandhu Sheikh Mujibur Rahman Agricultural UniversityGazipur1706Bangladesh Department of Biochemistry and molecular Biology Bangabandhu Sheikh Mujibur Rahman Agricultural UniversityGazipur1706Bangladesh Institute of Genomics for Crop Abiotic Stress Tolerance Department of Plant and Soil ScienceTexas Tech UniversityLubbockTX 79409USA

Improvement of plant performance under drought stress is crucial to sustaining agricultural *** current study investigated the ameliorative effects of foliar-applied kinetin,an adenine-type cytokinin(CK),on growth and gas exchange parameters,water relations and biochemical attributes of maize plants under drought ***-day-old maize plants were subjected to drought by maintaining soil moisture content at 25%field capacity for 8 days followed by foliar application of kinetin at 0,75,150 and 225 mg L^(−1)(CK0,CK75,CK150 and CK225,respectively)to the plants for two-times at the 9-day *** revealed that drought stress markedly reduced stem diameter,dry weight,chlorophyll content,gas exchange parameters and water balance but increased proline,malondialdehyde and soluble sugar contents,electrolyte leakage and senescence in maize *** of exogenous CK remarkably improved maize performance by modulating growth,gas exchange-and water relation-related parameters in a dose-dependent manner under drought ***225 increased chlorophyll content(by 61.54%),relative water content(by 49.14%),net photosynthesis rate(by 39.94%)and transpiration rate(by 121.36%)and also delayed leaf senescence but decreased internal CO_(2)concentration(by 7.38%),water saturation deficit(by 40.40%)and water uptake capacity(by 42.49%)in both well-watered and droughtstressed ***,CK application considerably decreased electrolyte leakage,proline,malondialdehyde and soluble sugar levels in drought-stressed maize plants,as also supported by heatmap and cluster *** together,exogenous CK at proper concentration(225 mg L^(−1))successfully improved maize performance under drought conditions,thereby suggesting CK application as a useful approach to alleviate drought-induced adverse effects in maize plants,and perhaps in other important crop plants.

关键词： Cytokinin drought maize osmoprotection photosynthesis water-use-efficiency

Assessment of seismic hazard of roller compacted concrete dam site in Gilgit-Baltistan of northern Pakistan

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Earthquake Engineering and Engineering Vibration 2021年第3期20卷 621-630页

作者： Shahzada Khurram Perveiz Khalid Jahanzeb Qureshi Zia ud Din Institute of Geology University of the PunjabLahore 54590Pakistan Department of Space Science University of the PunjabLahore 54590Pakistan

The proposed site of the Diamer Bhasha Dam in northern Pakistan is situated in an active tectonic zone with intensive seismicity,which makes it necessary for seismic hazard analysis(SHA).Deterministic and probabilistic approaches have been used for SHA of the dam *** main mantle Thrust(mmT),main Karakaram Thrust(mKT),Raikot-Sassi Fault(RKSF)and Kohistan Fault(KF)have been considered as major seismic sources,all of which can create maximum ground shaking with maximum potential earthquake(mPE).Deterministically estimated mPE for magnitudes of 7.8,7.7,7.6,and 7.1 can be produced from mmT,mKT,RKSF and KF,*** corresponding peak ground accelerations(PGA)of 0.07,0.11,0.13 and 0.05 g can also be generated from these earthquakes,*** deterministic analysis predicts a so-called floating earthquake as a mPE of magnitude=7.1 as close as 10 km away from the *** corresponding PGA was computed as 0.38 g for a maximum design earthquake at the project ***,the probabilistic analysis revealed that the PGA with 50%probability of exceedance in 100 years is 0.18 ***,this PGA value related to the operational basis earthquake(OBE)is suggested for the design of this project with shear wave velocity(V_(s30))equal to 760 m/s under dense soil and soft rock conditions.

关键词： seismic hazard analysis peak ground acceleration Gilgat-Biltastan Diamer Bhasha Dam

The Synthesis and Characterization of Peach-Like ZnO

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Chinese Physics Letters 2012年第12期29卷 232-235页

作者： A.Kamalianfar S.A.Halim Siamak Pilban Jahromi m.Navasery Fasih ud Din K.P.Lim S.K.Chen J.A.m.Zahedi Department of Physics Faculty of ScienceUniversity Putra Malaysia43400 UPM SerdangSelangorMalaysia Institute for mathematical Research University Putra Malaysia43400 UPM SerdangSelangorMalaysia Low Dimensional materials Research Center Department of PhysicsFaculty of ScienceUniversity of Malaya50603 Kuala LumpurMalaysia Department of Physics Karaj BranchIslamic Azad UniversityKarajIran Department of Physics Jahrom UniversityJahromIran

Peach-like ZnO microstructures are synthesized using vapor phase transport on mgO(001)substrates with a copper oxide(60 nm)buffer *** structure and morphology of the product are investigated using an x-ray diffractometer(XRD)and a field-emission scanning electron *** peaches have an average diameter of 3μm and a wurtzite *** study the optical properties,photoluminescence(PL)and Raman spectroscopy are employed.A strong UV emission at 380 nm in the PL spectra is observed,and a sharp and dominant peak at 437 cm^(-1) in the Raman spectrum can be assigned to the good crystallization of obtained *** addition,the growth mechanism of the peach-like ZnO structure is tentatively investigated based on the EDX analysis and growth time.

关键词： crystallization structure tentative

Dose-dependent effect of histamine on antibody generation in vivo

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Asian Pacific Journal of Tropical medicine 2010年第2期3卷 112-116页

作者： Tripathi T Shahid m Khan hm Khan RA Siddiqui mU DePartment of Biochemistry Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Department of microbiology Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Department of Pharmacology Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Department of Biochemistry Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University

Objective:To delineate immunomodulatory role of histamine on antibody generation pr of ile in rabbit in the present dose-dependent histamine ***:The cohort comprised of three groups(Ⅲ,ⅣandⅤ),containing six rabbits each,and received subcutaneous histamine 50μg/kg×bis in die(b.i.d.),100μg/kg×*** 200μg/kg X b.i.d.,respectively for 10 days (starting from the 1st day).They were subsequently immunized on the 3rd day with intravenous injection of sheep blood cell(SRBC)(1×10 cells/mL).GroupⅡ(positive control)(n=6) received vehicle(sterile distilled water) and immunized at day 3 similarly while groupⅠ(negative control) (n=6) remained non-immunized and received only *** experimentations were performed in *** samples were collected on pre-immunization(pre-I)(day 0),as well as on days 7-,14-,21-,28- and 58- post-immunization(post-I).Immunological parameters[total immunoglobulins(Igs),Igm and IgG]were analyzed by enzyme linked immunosorbent assay (ELISA) ***:Histamine could influence a detectable antibody response to SRBC as early as day 7-post-I,which lasted until day 58- *** results were found statistically significant(Pmine has a short-term effect on antibody generation(until its presence in the body),and the antibody generation titer in vivo were affected by the concentration of histamine.

关键词： Histamine Immumomodulation T-cell dependent antibody response Humoral immune response SRBC

Ex-Situ Cultivation of medicinal Plant Species in High Altitudes at Swat,Pakistan

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云南植物研究 2005年第6期27卷 676-684页

作者： Hassan Sher David melick Zaheer-ud-ud-Khan Department of Botany Government Jahanzeb College Swat NWFP Pakistan Kunming Institute of Botany Chinese Academy of Sciences Kunming 650204 China Department of Botany G. C and University of Lahore Pakistan

An ex-situ experiment was conducted to evaluate the growth performance of six medicinal species (Bergenia ciliata,Valeriana jatamansi,Dioscorea deltoidea,Paeonia emodi,Polygonum amplexicaule and Viola serpense) from upper Swat,*** were conducted at four different locations in the upper Swat valley at altitudes ranging from 1200 to 1900 *** objectives were:1) to determine the suitability of ex-situ cultivation of different medicinal species,and;2) to assess the economic geasibility of growing medicinal plants in the area.A highest mean survival of 80.7% across all locations was observed for Viola serpense,followed by 58.7% for Valeriana *** remaining four species exhibited very poor survival rates,although Polygonum amplexicaule,did show encouraging signs of growth and flowered,before experiencing high mortality rates late in the *** generally seemed to enhance the degree of sprouting for all species except Viola ***,the productive yield of *** was certainly not reduced,but rather slightly enhanced in the higher altitude ***,cultivation of only two of the investigated species,Valeriana jatamansi and Viola serpense,appeared successful and potentially economically viable under farmland conditions at upper Swat.

关键词：药用植物巴基斯坦种植技术宽叶甘松蓼属