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2020：
154,MaJL*,SongDL,WuYL,FuZF,ZhouJP,LiuP,ZhuXM,WeiQ,C72:Anovellowenergyanddirectbandgapcarbonphase,PhysicsLettersA,(2020)(Link)
153.PengXH*,WeiQ,YangG,Enhancedcarriermobilityinanisotropic2Dtetrahex-carbonthroughstrainengineering.arXiv:2002.00858(Link)
152.WeiQ,YangG,PengXH*,Auxetictetrahex-carbonwithultrahighstrengthanddirectbandgap.PhysicalReviewApplied,(2020)(Link)
2019：
151.JiangRJ*,ZhangJG,WeiQ,XueMH,Structural,mechanicalandelectronicproperteisofo-BC6N.ZeitschriftFurNaturforschungA,74(2019)1037-1042(Link)
150.YangXC,WeiQ*,WeiB,YanHY,YangRK,ZhangMg,ChenQH,WangXM,YaoRH,ZhaoCY,DingCY,Strucutral,elastic,andelectronicpropertiesofsuperhardmonoclinicC32underhighpressure.ActaPhysicaPolonicaA,135(2019)940(Link)
149.BaiTT,ZhangGT*,ZhaoYR,ChenL,MuBX,HanYF,WeiQ,First-principlespredictionofcrystalstructureandphysicalpropertiesofScB3.MolecularPhysics,(2019)e1603411(Link)
148.YangRK*,ShiMM,WeiQ,WuFP,XueMH,ZhouY,Afirst-principlesstudyofthepropertiesofP43m-Si3X2(X=N,PandAs).ChineseJournalofPhysics,59(2019)535-545.(Link)
147.WeiQ*,TongW,WeiB,ZhangMG*,PengXH*,Sixnewsiliconphaseswithdirectbandgaps.PhysicalChemistryChemicalPhysics,21(2019)19963-19968.(Link)
146.ZhangR,WeiQ*,WeiB,YangRK,ChengK,ZhangMG*,YanHY,ChenQH,XueMH,Structrual,elasticandelectronicpropertiesofnewsuperhardorthorhombicC28.InternationalJournalofModernPhysicsB,33(2019)1950227(Link)
145.WeiQ*,TongW,YangRK,YanHY,WeiB,ZhangMG,YangXC,ZhangR,OrthorhombicC10:anewsuperdensecarbonallotrope.PhysicsLettersA,383(2019)125861(Link)
144.ZhouYJ,WeiQ*,WeiB,YangRK,ChengK,ZhangMG,YanHY,ChenQH,ZhangJQ,PressureeffectsonmechanicalandelectronicpropertiesofmetallicC14byfirst-peinciplescalculations.InternationalJournalofModernPhysicsB,33(2019)1950193.(Link)
143.WeiQ*,ZhaoCY,ZhangMG*,YanHY,WeiB,PengXH*,NewstablestructuresofHeN3predictedusingfirst-principlescalculations.JournalofAlloysandCompounds800(2019)505-511.(Link)
142.WeiQ*,ZhaoCY,ZhangMG*,YanHY,WeiB,High-pressurephasesandpressure-inducedphasetransitionofMoN6andReN6.PhysicsLettersA383(2019)2429-2435(Link)
141.YangRK*,ChaiB,WeiQ,XueMH,ZhouY,First-principlesstudyonthestructural,elasticandelectronicpropertiesofthefourSi3Sb4compounds.ModernPhysicsLettersB33(2019)1950047(Link)
140.ZhangJQ*,MaHH,ZhaoB,WeiQ,YangYT,TheinvestigationsonopticalpropertiesofTiN1-xCxternaryalloys.PhysicaB:CondensedMatter556(2019)61-65(Link)
139.ZhuCS,YangRK*,ChaiB,WeiQ,ZhangDY,AcceleratingPmn21-BAlNPpropertiespredictionbymachinelearningbasedonfirst-principlescalculation.JournalofPhysicsandChemistryofSolids126(2019)224-233(Link)
138.ZhangMG*,YanHY,WeiQ*,Unexpectedground-statecrystalstructuresandmechanicalpropertiesoftransitionmetalpernitridesMN2(M=Ti,Zr,andHF).JournalofAlloysandCompounds774(2019)918-925(Link)
2018：
137.YangRK*,MaY,WeiQ,ZhangDY,ZhouY,Thestructural,mechanical,electronic,opticalandthermodynamicpropertiesoft-X3As4(X=Si,GeandSn)byfirst-principlescalculations.CondensedMatterPhysics21(2018)43601.(Link)
136.MaJL*,FuZF,WeiQ*,LiuP,ZhouJP,Pressureeffenctonthemechanicalandelectronicpropertiesoforthorhombic-C20.ModernPhysicsLettersB,(2018).(link)
135.YangRK*,MaYC,WeiQ,ZhangDY,Afirst-principlesinvestigationofthepropertiesoftwopredictednovelstructuresofSn3P4.ChineseJournalofPhysics,56(2018)886-894.(Link)
134.YangRK*,ChaiB,WeiQ,ZhangDY,First-principlescalculationsofthestrcutral,elastic,electronicandopticalpropertiesofSi2P2OandGe2P2Oathighpressures.ChineseJournalofPhyscs,(2018)(Link)
133.ZhuCS,YanRK*,WeiQ,ZhangDY,TheoreticalinvestigationsofphasesofAlAsbyfirst-principles.ChineseJournalofPhysics,(2018)(Link)
132.YangRK*,MaYC,WeiQ,ZhangDY,PropertiesofCmc21-X2As2O(X=Si,Ge,andSn)byFirst-PrinciplesCalculations.ZeitschriftfürNaturforschungA,73(2018)1025-1035(Link)
131.ZhangMG*,YanHY,WeiQ,Effectsofscandiumadditiononthestructuralstabilityandidealstrengthsofmagnesium-lithiumalloys.ZeitschriftfürNaturforschungA,73(2018)947-956(Link)
130.YangRK*,ChaiB,WeiQ,ZhangDY,Afirst-principlesstudyofthepropertiesoftwonovelSi3P4phases.InternationalJournlaofMordernPhysicsB,32(2018)1850244.(Link)
129.WeiQ*,ZhangQ,YanHY,ZhangMG*,WeiB,Anewtetragonalsuperhardmetalliccarbonallotrope.JournalofAlloysandCompounds,769(2018)347-352.(Link)
128.YanHY*,ZhangMG,ZhangY,WeiQ*,Pressure-inducedstructuralphasetrasformationofyttriumdiborocarbideathighpressure.EPL,122(2018)36004.(Link).
127.ZhaoCY,WeiQ*,YanHY,WeiB,Mechanicalpropertiesandstabilityofbody-centered-tetragonalC8athighpressures.ZeitschriftfürNaturforschungA,73(2018)939-946.(Link)
126.ZhaoCY,Wei,Q*,ZhangMG,YanHY,ZhangQ,ZhouYJ,WeiB,MaJL,Pressureandstraineffectsonthestructural,electronicandopticalpropertiesofK4phosphorus.ZeitschriftfürNaturforschungA,73(2018)661-668.(Link)
125.YanHY*,ZhangMG,WeiQ*,ZhangY,Aneworthorhombicground-statephaseandmechanicalstrengthsofternaryB2COcompound.ChemicalPhysicsLetters,701(2018)86-92.(Link).
124.ZhangJQ*,MaHH,ZhaoB,WeiQ,YangYT,First-principlesinvestigationsonstructural,elasticandmechanicalpropertiesofBNxAs1-xternaryalloys.InternationalJournalofModernPhysicsB,32(2018)1850152.(Link)
123.WeiQ*,ZhaoCY,ZhangMG,YanHY,ZhouYJ,YaoRH,Anewsuperhardcarbonallotrope:orthorhombicC20.PhysicsLettersA,382(2018)1685-1689.(Link)
122.ZhangMG*,YanHY,ZhangY,WeiQ*,MechanicalstrengthandoriginofthestrengtheningeffectoftantaluminsuperhardW0.5Ta0.5Bmonoboride,CeramicsInternational,44(2018)10463-10469.(Link)
121.WeiQ*,ZhangQ,ZhangMG*,YanHY,GuoLX,WeiB,Anovelhybridsp-sp2metalliccarbonallorope.FrontiersofPhysics,13(2018)136105(Link)
120.YangRK*,MaSW,WeiQ,ZhangDY,Mechanical,ElectronicandOpticalPropertiesofTwoPhasesofNbB4:First-PrinciplesCalculations.ZeitschriftfürNaturforschungA,73(2018)453-460(Link)
119.WeiQ*,ZhangQ,YanHY,ZhangMG*,ZhangJQ,Straineffectsonthemodulationofbandgapandopticalpropertiesofdirectbandgapsilicon.MaterialsResearchBulletin,102(2018)1-7.(Link)
118.FanQY*,ChaiCC,WeiQ,WongKQ,LiuYQ,YangYT,TheoreticalinvestigationsofgroupIValloysintheLonsdaleitephase.JournalofMaterialsScience,53(2018)2785-2801.(Link)
117.FuZF,MaJL*,WeiQ,LiuP,ZhouJP,LiXC,WangB,AbinitiopredictedelasticandthermodynamicpropertiesofImm2-BNunderhighpressure.ChineseJournalofPhysics,56(2018)423-431.(Link)
2017:
116.YangRK*,ChaiB,ZhuCS,WeiQ,DuZ,First-principlesstudyonthestructural,elasticandelectronicpropertiesofTi4N3andTi6N5underhighpressure.ModernPhysicsLettersB,31(2017)1750349.(Link)
115.YangRK*,MaSW,WeiQ,DuZ,Mechanical,Electronic,andopticalpropertiesofbeta-B6O:firstprinciplescalculations.ZeitschriftfürNaturforschungA,72(2017)805.(Link)
114.WeiQ*,ZhangQ,YanHY,ZhangMG,ShiXF,ZhuXM,Predictionofstableground-stateandpressure-inducedphasetransitionofmolybdenummonosulfide.MaterialsScienceandEngineering:B226(2017)114-119.(Link)
113.YangRK*,ZhuCS,WeiQ,ZhangDY,First-principlesstudyonphasesofAlP.SolidStateCommunications267(2017)23-28.(Link)
112.ZhaoCY,WeiQ*,YanHY,ZhuXM,LiRX,ZhangJQ,ElasticanisotropyandstabilityofRh2BandRhB2athighpressure.ChineseJournalofPhysics55(2017)1981-1987.(Link)
111.YangRK*,ZhuCS,WeiQ,DuZ,First-principlesstudyofhtepropertiesofPmn21-B1-xAlxN.PhilosophicalMagazine97(2017)3008-3026.(Link)
110.ZhaoB,ZhangJQ*,MaHH,WeiQ,YangYT,Structure,electronicandmechanicalpropertiesofGa1-xBxPalloys.PhysicaB521(2017)295-304.(Link)
109.FanQY*,ChaiCC,WeiQ,ZhouPK,YangYT,TwonovelGephasesandtheirSi-Gealloyswithexcellentelectronicandopticalproperties.Materials&Design132(2017)539-551.(Link)
108.YangRK*,ZhuCS,WeiQ,XiaoK,DuZ,First-principlesstudyofoptical,elasticanisotropicandthermodynamicpropertiesofTiNunderhightemperatureandhighpressure.CondensedMatterPhysics20(2017)23601.(Link)
107.YangRK*,ZhuCS,WeiQ,DuZ,Phasestability,mechanicalandoptoelectronicpropertiesoftownovelphasesofAlN.ModernPhysicsLettersB31(2017)1750201.(Link)
106.MaHH,ZhangJQ*,ZhaoB,WeiQ,YangYT,First-principlesstudyonmechanicalandelasticpropertiesofBxAl1-xPalloys.AIPAdvances7(2017)065007(Link)
105.ZhangMG*,YanHY,WeiQ*,ZhengBB,Reinvestigationofmechanicalpropertiesandshear-inducedatomicdeformationoftetragonalsuperhardsemiconductingOsB4.JournalofPhysicalChemistryC121(2017)6290-6299(Link)
104.ZhangQ,WeiQ*,YanHY,ZhuXM,ZhangJQ,JiaXF,YaoRH,Stability,elasticanisotropyandelectronicpropertiesofCa2C3.ChinesePhysicsB26(2017)066201(Link)
103.ZhangQ,WeiQ*,YanHY,ZhuXM,ShiXF,ZhangJQ,Elasticanisotropyandthermodynamicpropertiesofsuperhardc-C3Nunderpressure.DiamondandRelatedMaterials74(2017)132-137(Link)
102.FanQY*,ChaiCC,WeiQ,YangYT,Thermodynamic,elastic,elasticanisotropyandminimumthermalconductivityofbeta-GaNunderhightemperature.ChineseJournalofPhysics55(2017)400-411(Link)
101.YangRK*,ZhuCS,WeiQ,DuZ,Afirst-principlesstudyofthepropertiesoffourpredictednovelphasesofAlN.JournalofPhysicsandChemistryofSolids104(2017)68-78..(Link)
100.ZhuXM*,WeiQ,Directstatetomographyusingcontinuousvariablemeasuringdevice.AnnalsofPhysics,376(2017)283-295.(Link)
99.YanHY*,ZhangMG,ZhengBB,WeiQ,ZhangY,ModelingtheelasticanisotropiesandmechanicalstrengthsofIr3Xintermtallics.JournalofAlloysandCompunds,696(2017)611-618.(Link)
98.WeiQ*,ZhangQ,YanHY,ZhangMG*,Anewsuperhardcarbonallotrope:tetragonalC64.JournalofMaterialsScience,52(2017)2385-2391(Link)
2016：
97.ZhaoYR,ZhangHR,ZhangGT,WeiQ,YuanYQ*,First-principlesinvestigationonelasticandthermodynamicpropertiesofPnnm-CNundrehighpressre.AIPAdvances,6(2016)125040.(Link)
96.ZhangMG*,ChengK,YanHY,WeiQ*,ZhengBB,Electronicbondinganalysesandmechanicalstrengthsofincompressibletetragonaltransitionme[ant]taldinitridesTMN2(TM=Ti,Zr,andHf).ScientificReports6(2016)36911(Link)
95.WeiQ*,ZhangQ,YanHY,ZhangMG*,CubicC3N:anewsuperhardphaseofcarbon-richnitride.Materials9(2016)840,(Link)
94.WeiQ*,ZhangQ,ZhangMG*,MechanicalandelectronicpropertiesofXC6andXC12.Materials9(2016)726.(Link)
93.FanQY,ChaiCC,WeiQ*,ZhouPK,YangYT,ElasticanisotropyandelectronicpropertiesofSi3N4underpressure.AIPAdvances6(2016)085207.(Link)
92.WeiQ*,ZhangMG,YanHY,First-priniplesinvestigationofhighpressurePbcaphaseofcarbonmononitride.PhysicsLettersA380(2016)3217-3221.(PDF)
91.ZhangGT,ZhaoYR,BaiTT,WeiQ,YuanYQ*,AnewhardphaseandphysicalproperttiesofTc2Cpredictedfromfirstprinciples.RSCAdvances6(2016)66066-66073.(Link)
90.WeiQ*,ZhangQ,ZhangMG*,CrystalstructuresandmechanicalpropertiesofCa2Cathighpressure.Materials9(2016)570.(Link)
89.LiXF*,YanHY,WeiQ,Structuralandmechanicalpropertiesoftransitionme[ant]talboridesNb2MB2(M=Tc,Ru,andOs)underpressure.SolidStateCommunications245(2016)68-75.（PDF)
88.YangRK*,ZhuCS,WeiQ,DuZ,Investigationsonstructural,elastic,thermodynamicandelectronicpropertiesofTiN,Ti2NandTi3N2underhighpressurebyfirst-principles.JournalofPhysicsandChemistryofSolids98(2016)10-19.(PDF)
87.FanQY*,ChaiCC,WeiQ,YangYT,TwoNovelC3N4Phases:Structural,MechanicalandElectronicProperties.Materials9(2016)427.(Link)
86.FanQY*,ChaiCC,WeiQ,YangYT,Mechanicalandelectronicpropertiesofcarbon-richsiliconcarbide.Materials9(2016)333.(Link)SCI:000378628500028
85.FanQY,WeiQ*,ChaiCC,YanHY,ZhangMG,ZhangZX,ZhangJQ,ZhangDY,Structural,anisotropicandthermodynamicpropertiesofboroncarbide:Firstprinciplescalculations.IndianJournalofPure&AppliedPhysics,54(2016)227-235.(PDF)SCI:000375349000001
84.FanQY*,ChaiCC,WeiQ,YangJH,ZhouPK,ZhangDY,YangYT,AnewphaseofGaN.JournalofChemistry2016(2016)8612892.(PDF)SCI:000374952000001
83.FanQY*,ChaiCC,WeiQ,ZhouPK,ZhangJQ,YangYT,Si96:Anewsiliconallothopewithinterestingphysicalproperties.Materials9(2016)248.(Link)SCI:000375158900070
82.FanQY,ChaiCC,WeiQ*,YangYT,Twonovelsiliconphaseswithdirectgap.PhysicalChemistryChemicalPhysics18(2016)12905-12913.(PDF)SCI:000375689200057
81.ZhangQ,WeiQ*,YanHY,FanQY,ZhuXM,ZhangJQ,ZhangDY,MechanicalandelectronicpropertiesofP42/mnmsiliconcarbides.ZeitschriftfürNaturforschungA71(2016)387-396.(PDF)SCI:000375867700001
80.ZhangQ,WeiQ*,YanHY,ZhangZX,FanQY,JiaXF,ZhangJQ,ZhangDY,First-principlestudyofstructral,elasticanisotropicandthermodynamicpropertiesofP-4m2-BC7,ActaPhysicaPolonicaA,129(2016)329-333.(PDF)SCI:000373201000012
79.FanQY,WeiQ*,ChaiCC,YangYT,YuXH,YangL,ZhengJP,ZhouPK,ZhangDY,TheelasticanisotropicandthermodynamicpropertiesofI4mm-B3C,ActaPhysicaPolonicaA,129(2016)103-108.(PDF)SCI:000371642600020
78.WeiQ*,YanHY,ZhuXM,LinZZ,YaoRH,Theoreticalinvestigationsontheelasticandthermodynamicpropertiesofrheniumphosohide.ZeitschriftfürNaturforschungA,71(2016)1-8.(PDF)SCI:000368086900001
77.FanQY*,ChaiCC,WeiQ,YangQ,ZhouPK,XingMJ,YangYT,MechenicalandelectronicpropertiesofSi,GeandtheiralloysinP42/mnmstructure.MaterialsScienceinSemiconductorProcessing,43(2016)187-195.(PDF)SCI:000370093200028
76.FanQY,ChaiCC,WeiQ*,YangYT,YangQ,ChenPY,XingMJ,ZhangJQ,YaoRH,PredictionofnovelphaseofsiliconandSi-Gealloys.JournalofSolidStateChemistry,233(2016)471-483.(PDF)SCI:000369881200064
2015：
75.PengXH,WeiQ,LiY,ChanCK*,First-principlesstudyofLithiationoftypeIBa-dopedsiliconclathrates,JournalofPhysicalChemistryC,119(2015)28247.(PDF)SCI:000367561700002IF:4.509
74.WeiQ*,ZhangMG*,YanHY,LiRX,ZhuXM,LinZZ,YaoRH,AnewsuperhardphaseofC3N2polymorphs.ZeitschriftfürNaturforschungA70(2015)1001.(PDF)SCI:000368086700001IF:0.886
73.FanQY,WeiQ*,ChaiCC,YuXH,LiuY,ZhouPK,YanHY,ZhangDY,First-principlesstudyofstrucral,elastic,anisotropic,andthermodynamicpropertiesofR3-B2C.ChineseJournalofPhysics53(2015)100601.(PDF)SCI:000365814100011IF:0.464
72.FanQY,ChaiCC,WeiQ*,YanHY,ZhaoYB,YangYT,YuXH,LiuY,XingMJ,ZhangJQ,YaoRH,Novelsiliconallotropes:stability,mechanical,andelectronicproperites.JournalofAppliedPhysics118(2015)185704.(PDF)SCI:000365041700050IF:2.101
71.ZhangMG*,YanHY,ZhengBB,WeiQ,InfluencesofcarbonconcentrationoncrystalstructuresandidealstrengthsofB2CxOcompoundsintheB-C-Osystem,ScientificReports5(2015)15481.(PDF)SCI:000363123000002IF:5.228
70.FanQY,ChaiCC,WeiQ*,YangYT,QiaoLP,ZhaoYB,ZhouPK,XingMJ,ZhangJQ,YaoRH,MechanicalandelectronicpropertiesofCa1-xMgxOalloys,MaterialsScienceinSemiconductorProcessing40(2015)676-684.(PDF)SCI:000363344600095IF:2.264
69.ZhangMG*,YanHY,WeiQ,LiuHY*,Anewhigh-pressurepolymericnitrogenphaseinpotassiumazide,RSCAdvvances,5(2015)11825-11830.(PDF)SCI:000348985400017IF:3.289
68.FanQY,WeiQ*,ChaiCC,YanHY,ZhangMG,LinZZ,ZhangZX,ZhangJQ,ZhangDY,Structural,mechanical,andelectronicpropertiesofP3m1-BCN.JournalofPhysicsandChemistryofSolids,79(2015)89-96.(PDF)SCI:000349505000012IF:2.048
67.FanQY,WeiQ*,ChaiCC,ZhangMG,YanHY,ZhangZX,ZhangJQ,ZhangDY,ElasticandelectronicpropertiesofImm2-andI-4m2-BCN.ComputationalMaterialsScience,97(2015)6-13.(PDF)SCI:000345508100002IF:2.086
2014：
66.PengXH*,WeiQ,Chemicalscissorscutphosphorenenanostructures.MaterialsResearchExpress,1(2014)045041.(PDF)SCI:000209665400043,IF:0.968
65.PengXH*,CoppleA,WeiQ,Edgeeffectsontheelectronicpropertiesofphosphorenenanoribbons.JournalofAppliedPhysics,116(2014)144301.(PDF)SCI:000343988000032IF:2.185
64.FanQY,WeiQ*,YanHY,ZhangMG,ZhangDY,ZhangJQ,AnewpotentialsuperhardphaseofOsN2,ActaPhysicaPolonicaA126(2014)740-746.(PDF)SCI:000342544900018IF:0.604
63.GuoP*,ZhengJ,GuoX,CaoL,WeiQ,Electronicandmagneticpropertiesoftransition-me[ant]tal-dopedsodiumsuperatomclusters:TM@Na8(TM=3d,4dand5dtransitionme[ant]tal),ComputationalMaterialsScience,95(2014)440-445.(PDF)SCI:000343781700058IF:1.879
62.PengXH*,WeiQ,CoppleA,Strain-engineereddirect-indirectbandgaptransitionanditsmechanismintwo-dimensionalphosphorene,PhysicalReviewB,90(2014)085402.(PDF)SCI:000339998600004IF:3.664
61.WeiQ*,ZhangMG*,YanHY,LinZZ,ZhuXM,Structural,electronicandmechanicalpropertiesofImma-carbon,EPL,107(2014)27007.(PDF)SCI:000340779900026IF:2.269
60.YanHY*,ZhangMG,ZhaoYR,WeiQ,ZhouXC,Elasticanisotropyandshear-inducedatomisticdeformationoftetragonalsiliconcarbonnitride.JournalofAppliedPhysics,116(2014)023509.(PDF)SCI:000340267600021IF:2.185
59.WeiQ,PengXH*,Superiormechanicalflexibilityofphosphoreneandfew-la[ant]yerblackphosphorus.ApplliedPhysicsLetters,104(2014)251914.(PDF)SCI:000338515900040IF:3.515
58.WagnerNA,RaghavanT,ZhaoR,WeiQ,PengXH,ChanCK*,Electrochemicalcyclingofsodium-filledsiliconclathrate.ChemElectroChem,1(2014)347-353.(PDF)SCI:000338295400007
57.ZhangMG*,WeiQ*,YanHY,ZhaoYR,WangH,Anovelsuperhardtetragonalcarbonmononitride.JournalofPhysicalChemistryC,118(2014)3202-3208.(PDF)SCI:000331493400036IF:4.835
56.FanQY,WeiQ*,YanHY,ZhangMG,ZhangZX,ZhangJQ,ZhangDY,ElasticandelectronicpropertiesofPbca-BN:firstprinciplescalculations.ComputationalMaterialsScience,85(2014)80-87.(PDF)SCI:000331724000010IF:1.879
55.ZhangMG*,YanHY,ZhaoYR,WeiQ*,Mechanicalpropertiesandatomisticdeformationmechanismofspinel-typeBeP2N4.ComputationalMaterialsScience,83(2014)457-462.(PDF)SCI:000329400700063IF:1.879
54.LinZZ*,WeiQ,ZhuXM,Modulatingtheelectronicpropertiesofgraphdiynenanoribbons.Carbon66(2014)504-510.(PDF)SCI:000327575200056IF:6.160
2013：
53.ZhangMG,YanHY,WeiQ,HuangDH,ElasticandthermodynamicpropertiesofRe2Nathighpressureandhightemperature.Trans.NonferrousMet.Soc.China,23(2013)3714-3721.(PDF)
52.ZhuXM,WeiQ,LiuQH,WuSJ,Negativeprobabilitiesandinformationgaininweakmeasurements.PhysicsLettersA377(2013)2505-2509.(PDF)
51.MaJL,FuZF,WeiQ,ZhangHM,Uniaxialstressinducedelectronmobilityenhancementinsilicon.Silicon5(2013)219-224.(PDF)
50.YanHY,ZhangMG,WeiQ,GuoP,Theoreticalstudyontetragonaltransitionme[ant]taldinitridesfromfirstprinciplescalculations.JournalofAlloysandCompounds581(2013)508-514.(PDF)
49.YanHY,ZhangMG,WeiQ,GuoP,ElasticanisotropyandthermodynamicpropertiesoftetrahedrallybondeddenseC2N2(NH)underhighpressureandhightemperature.PhysicaStatusSolidiB250(2013)1293-1299.(PDF)
48.ZhangMG,YanHY,WeiQ,WangH,Explorationonpressure-inducedphasetransitionofceriummononitridefromfirstprinciplecalculations,AppliedPhysicsLetters102(2013)231901.(PDF)
47.WeiQ,ZhangMG,GuoLX,YanHY,ZhuXM,LinZZ,GuoP,AbinitiostudiesofnovelcarbonnitridephaseC2N2(CH2),ChemicalPhysics415(2013)36-43.(PDF)
46.ZhangMG,YanHY,WeiQ,WangH,WuZJ,Novelhigh-pressurephasewithpseudo-benzene"N6"moleculeofLiN3,EPL,101(2013)26004.(PDF)
45.YanHY,ZhangMG,HuangDH,WeiQ,First-princilestudyofelasticandthermodynamicpropertiesoforthorhombicOsB4underhighpressure.SolidStateSciences18(2013)17-23.(PDF)
44.ZhangMG,YanHY,WeiQ,WangH,Universalgroundstatehexagonalphasesandmechanicalpropertiesofstoichiometrictransitionme[ant]taltetraborides:TMB4(TM=W,Tc,andRe).ComputationalMaterialsScience68(2013)371-378.(PDF)
43.YanHY,ZhangMG,WeiQ,GuoP,AbinitiostudiesofternarysemiconductorBeB2C2,ComputationalMaterialsScience,68(2013)174.(PDF)
2012:
46.ZhangMG,YanHY,WeiQ,WangH,Mechanicalandelectronicpropertiesofnoveltungstennitride,EPL,2012,100:46001.(PDF)
45.ZhangPX,ZhangDY,HuangL,WeiQ,LinMC,RenXZ,First-principlesstudyontheelectronicstructureofaLiFePO4(010)surfaceadsorbedwithcarbon.JournalofAlloysandCompounds,2012,540:121-126.(PDF)
44.ZhangMG,YanHY,WeiQ,WangH,Pressure-inducedphasetransitionandmechanicalpropertiesofmolybdenumdiboride:Firstprinciplescalculations.JournalofAppliedPhysics,2012,112:013522.(PDF)
43.WeiQ,BrikMG,GuoLX,WeiB,Investigationsofgfactorsforthe2EstateofV2+ionsinAl2O3crystals.SpectrochimicaActaPartA,2012,97:50-53.(PDF)
42.WeiQ,GuoLX,WeiB,ZhuXM,OpticalspectraanddefectstructureforV2+ionsinZnSatlowtemperature.PhysicaB,407(2012)2808-2810.(PDF)
41.ZhangMG,YanHY,ZhangGT,WeiQ,WangH,First-principlescalculationsoncrystalstructureandphysicalpropertiesofrheniumdicarbide.SolidStateCommunications,152(2012)1030-1035.(PDF)
40.WeiQ,GuoLX,WeiB,YangZY,AnalysisofopticalspectraandSHparametersofV3+centersinZnOcrystals.OpticalMaterials,34(2012)1092-1094.(PDF)
39.ZhangMG,YanHY,ZhangGT,WeiQ,WangH,Tetragonalhigh-pressurephaseofInIpredictedfromfirstprinciples.PhysicaB:CondensedMatter,2012,407:398-402(PDF)
38.马建立,张鹤鸣,宋建军,魏群,王晓艳,王冠宇,徐小波,单轴应力锗能带结构研究.中国科学,2012,42:15-21(PDF)
2011：
37.MaJL,ZhangHM,SongJJ,WeiQ,WamgXY,WangGY,XuXB,EnergyBandStructureofSiliconUnderUniaxialStressinthe(110)PlaneAlonganArbitraryDirection.ChineseJournalofPhysics,2012,49:1244-1254(PDF)
36.MaJL,ZhangHM,WangXY,WeiQ,WamgGY,XuXB,ValencebandstructureandholeeffectivemassofuniaxialstressedGremanium,JournalofComputationalElectronics,2011,10:388-393.(PDF)
35.WeiQ,GuoLX,YangZY,WeiB,ZhangDY,StudiesofthedefectstructureforV3+ionsinwurtzitestructureZnO,SpectrochimicaActaPartA,2011,82:137-139.(PDF)
34.WeiQ,GuoLX,YangZY,WeiB,Spin-spinandspin-other-orbitinteractionsofspin-Hamiltonianparametersfor3d2/8ionsinAl2O3crystals,ActaPhysicaPolonicaA,2011,119(6):857-859(PDF)
33.WeiQ,GuoLX,YangZY,WeiB,Studiesofthegfactorsoftheground4A2andthefirstexcited2EstateofCr3+ionsinemerald.SpectrochimicaActaPartA,2011,79:1187-1190.(PDF)
32.YanHY,WeiQ,ChangSM,GuoP,Structural,Mechanical,andElectronicPropertiesofTitaniumborides:AFirst-PrincipleCalculation,Trans.NonferrousMet.Soc.China,2011,21(7):1627-1633(PDF)
31.ZhangDY,YiJ,WeiQ,LiuK,FanZZ,ZhangPX,StudyontheRatePerformanceofLiCo1/3Ni1/3Mn1/3O2,AdvacedMaterialsResearch,2011,158:256-261(PDF)
30.YanHY,WeiQ,ChangSM,GuoP,Abinitiostudyofultra-incompressibleternaryBeCN2polymorph,J.Phys.Chem.Solids,2011,72:667-672(PDF)
29.YanHY,WeiQ,ChangSM,GuoP,AfirstprinciplestudyofantifluoriteBe2X(X=C,Si)polymorph,ActaPhysicaPolonicaA,2011,119(3):442-446(PDF)
28.YanHY,WeiQ,ZhengBB,GuoP,Low-compressibilityandhardmaterialcarbonnitrideimideC2N2(NH):First-principlescalculations,J.SolidStateChem.,2011,184:572-577(PDF)
2010：
27.WeiQ,InvestigationsoftheopticalandEPRspectraforCr3+ionsindiammoniumhexaaquamagnesiumsulphatesinglecrystal,ActaPhysicaPolonicaA,2010,118:670-672(PDF)
26.WeiQ,InvestigationsoftheEPRandopticalspectraforVO2+inC3H7NO2powders,ActaPhysicaPolonicaA,2010,117:962-964(PDF)
2009：
25.魏群,三角对称下3d3离子2E态g因子性质研究,物理学报,2009,58:3485-3490(PDF)
24.WeiQ,YangZY,TheoreticalinvestigationsonthegfactorsofE(2E)stateforCr3+ionsinAl2O3crystal,J.Magn.Magn.Mater.,2009,321:1875-1877(PDF)
23.WeiQ.XuQMTheoreticalstudyonzero-fieldsplittingof4T2statesfor3d3ionsattetragonalsymmetry,PramanaJ.Phys.,2009,72:735-742(PDF)
22.WeiQ.Theapproximateanalyticalex[ant]pressionsofSS,SOOandcombinedmechanismsfor3d3ionsattrigonalsymmetry.Z.Naturforsch.A,2009,9/10:646-652(PDF)
21.WeiQ,XuQM,YangZY,ZhangDY,ZhangJG,Zero-fieldsplittingandlocalstructureforV2+ionsinCsMgX3(X=Cl,Br,I)crystals.PramanaJ.Phys.,2009,73:939-944(PDF)
20.WeiQ.,ZhangPX,ZhangDY,ZhouJH.InvestigationsoftheEPRspectraforVO2+inCaO-Al2O3-SiO2system.PramanaJ.Phys.,2009,73:1087-1094(PDF)
2008：
19.WeiQ,XuQ.M.,YangZ.Y.,ZhangD.Y.,ZhangJ.G.Theoreticalstudyonthelocalstructureandthespin-HamiltonianparametersforNi2+ionsatNbsitesinLiNbO3crystal,PhsysicaStatusSolidi(b),2008,245:193-196(PDF)
18.WeiQ.,Investigationsonthespin-HamiltonianparametersandlocalstructureforNi2+ionsinCsMgX3(X=Cl,Br,I)crystals,Z.Naturforsch.A,2008,63:188-192(PDF)
17.WeiQ.,Theoreticalstudyonzero-fieldsplittingofa4T1statesfor3d3ionsattetragonalsymmetry.ChineseJ.Phys.,2008,46:181-188(PDF)
16.WeiQ,YangZ.Y.,Explanationsofgfactorsofthefirstexcited2EstateforAl2O3:Mn4+system.SolidStateCommun.,2008,146:307-310(PDF)
15.王参军,魏群,郑宝兵,梅冬成,色噪声驱动的肿瘤细胞增长系统的瞬态性质:平均首通时间.物理学报,2008,57:1375-1380(PDF)
14.WangCJ,WeiQ,MeiDCAssociatedrelaxationtimeandthecorrelationfunctionforatumorcellgrowthsystemsubjectedtocolornoises.Phys.Lett.A,2008,372:2176-2182(PDF)
13.WuJW,GuoHK,WeiQ,GuZQ,Superconductingenergygapinfullerides.Mod.Phys.Lett.B,2008,22:1851-1857(PDF)
2007：
12.魏群,杨子元,王参军,许启明.轴对称晶场中d3离子激发态对4A2基态自旋哈密顿参量的影响.物理学报,2007,56(1):507-511(PDF)
11.魏群,杨子元,王参军,许启明.Al2O3:V3+晶体局域结构及其自旋哈密顿参量研究.物理学报,2007,56(4):2393-2398(PDF)
10.WeiQ,YangZ.Y.,XuQ.M.Studyonthelocalstructureandthespin-HamiltonianparametersforCu3+ionsinAl2O3crystal,PhysicaStatusSolidi(b),2007,244(6):1997-2001(PDF)
9.WangCJ,WeiQ,MeiDC,Meanfirst-passagetimeofatumorcellgrowthsystemsubjectedtoacoloredmultiplicativenoiseandawhiteadditivenoisewithcoloredcross-correlatednoise.ModernPhysicsLettersB,2007,13:789-797(PDF)
8.WeiQ,YangZ.Y.,WangC.J.,XuQ.M.,Theoreticalinvestigationsofzero-fieldsplittingofexcitedstatesford3ionsintrigonalcrystalfields.SpectrochimicaActaPartA,2007,68:665-668(PDF)
Before2006：
7.WeiQ.SpinHamiltonianparametersandstructuraldisorderanalysisforCr3+ioninYGGcrystals.SolidStateCommunications,2006,138:427-429(PDF)
6.魏群,杨子元.YAG:Cr3+晶体精细光谱结构研究.光子学报,2006,35(5):688-692(PDF)
5.魏群.Al2O3:V2+晶体自旋哈密顿参量的理论解释.人工晶体学报,2006,35(2):224-227(PDF)
4.YangZY,WeiQ.Ontherelationsbetweenthecrystalfieldparameternotationsinthe“Wybourne”notationandtheconventionalonesfor3dNionsinaxialsymmetrycrystalfield.PhysicaB,2005,370:137-145(PDF)
3.杨子元,魏群，郝跃.YAG:V2+激光材料晶格畸变及其EPR参量研究.人工晶体学报,2005,34(3):491-495(PDF)
2.杨子元,魏群.ZnAl2O4:Cr3+晶体局域结构研究.功能材料,2005,36(7):1011-1014(PDF)
1.杨子元,魏群.三角对称晶场中4A2（3d3）离子EPR参量的SS和SOO机制.化学物理学报,2004,17(4):401-406(PDF)
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