Books：
1. 张培新，陈建华，魏 群，张冬云. 掺杂材料分子模拟与计算. 2012，科学出版社
Papers：
2024:
201. Xie XS, Wei Q*, Jia XF, Zhang MG*, Wu ZH, Zhu XM, Pressure-induced phase transformation and mechanical stability of HfAl2. Computational and Theoretical Chemsitry, 1234 (2024) 114537. (Link)
200. Wei Q*, Wang QF, Xie XS, Jia XF, Wu ZH, Yan HY, Zhang MG, Hu MW, Zhu XM, First-principles stdudies of three pristine and BN-doped graphyne allotropes. Acta Physica Polonica A, 145 (2024) 71-80. (Link)
199. Jia XF*, Wei Q, Zhang WP, He L, Wu ZH, Modeling of non-intrinsic noise in nanometer metal oxide semiconductor field effect trasistors. Jounal of Applied Physics, 135 (2024) 035704. (Link)
2023：
198. Jia XF*, Wei Q, Zhang WP, He L, Wu ZH, Analysis of thermal noise characteristics in 10 nm metal oxide semiconductor field effect transistor. Acta Phys. Sin., 72 (2023): 227303. (Link)
197. Yao RH, Jia XF, Zhu XM*, Zhang MG, Wei Q, C2/c-C32: a new superhard sp3 carbon allotrope with direct band gap. Acta Physica Polonica A, 144 (2023) 150. (Link)
196. Xie XS, Wei Q*, Jia XF, Wu ZH, Zhang MG, A new metallic silicon allotrope: c-Si16. Acta Physica Polonica A, 144 (2023) 173. (Link)
195. Luo J, Wei Q*, Jia XF, Zhang MG*, Wu ZH, Zhu XM, Mechanical and electronic properties of new stable transition metal carbonitrides. Results in Physics, 52 (2023) 106920. (Link)
194. MaJL, Zhang Y, Fan ZG, Wei Q, Zhou JP, Insight on elastic anisotropy and thermal properties of Mg-Ti-O compounds from firt-principles calculations. Physica Status Solidi B-Basic Solid State Physics, 260 (2023) 2300165. (Link)
193. Yuan H, Wei Q*, Jia XF, Zhang MG*, Wu ZH, Zhu XM, The stability, mechanical, and electronic properties of the Cr-Mo-B system: First-principles predictions. Ceramics International, 49 (2023) 31302 (Link)
192. Yan HY, Chen L, Yin R, Zhang Y, Zhang MG*, Wei Q*, Ultra-incompressibility and anomalous shear deformation resistance of transition metal polynitrides TMN8 (TM=Ti, Zr, Hf). Ceramics International, 49 (2023) 30230 (Link)
191. Zhang MG*, ChenL, Feng L, Ta HH, Zhang Y, Wei Q, Li PF, Pressrue-induced phase trasition and electronic structure evolution in layered semimetal HfTe2. Chinese Physics B, 32 (2023) 086101. (Link)
190. Yang RK*, Wang JL, Wu FP, Wei Q, Xue MH, First-principles calculations to investigate structrual, electronic and optical properties of Cmc21-GeAs2X(X=S,Se,Te and Po) under pressure effect. Journal of Physics and Chemstry of Solids, 176 (2023) 111231. (Link)
189. Ma JL*, Fan ZG, Zhou JP, Wei Q, Theoretical investigations on the structure, elastic and thermal conductivities of Li2MO3 (M=S, Zr and Ti) ceramics. Integrated Ferroelectrics, 231 (2023) 153-162. (Link)
188. Zhu XM*, Deng YC, Zhang DZ, Gao RP, Wei Q, Luo ZJ, Spatial search by continuous-time quantum walk on truncated simplex lattices. Laser Physics Letters, 20 (2023) 035205. (Link)
187. Wang Z, Wei Q*, Zhang S, Li LQ, Hu MW, Li R, Scattering properties of Bessel beams on metal particles. Physica Scripta, 98 (2023) 035512. (Link)
186. Tong W, Wei Q, Yuan H, Zhang MG, Wu ZH, Zhu XM*, Monoclinic C12: A new superhard carbon allotrope. Physica B: Condensed Matter, 653 (2023) 414696. (Link)
185. Wei Q*, Yan YQ, Jia XF, Yan HY, Zhang MG*, Wu ZH, Zhou YJ, Stability and electonic structures of Cmmm-Pt3M alloys. Physics Letters A, 457 (2023) 128540. (Link)
2022：
184. Yang RK*, Xue XL, Wu FP, Wei Q, Zhou Y, Xue MH, First-principles study of the properties of Pmn21-B1-xAlxAs. Crystal Research & Technology, (Link)
183. Zhang S, Wei B, Wei Q, Li RX, Chen SG, Song NN, Optical force of Bessel pincer light-sheet beam on a dielectric sphere of arbitrary size. Nanomaterials, 12 (2022) 3723. (Link)
182. Wang QF, Wei Q, Hu MW, Xie XS, Zhang MG, Yan HY, Zhu XM, Stable configuratois and electronic properties of hydrogenated 10-18-6 graphyne. Applied Physics A, 128 (2022) 986. (Link)
181. Zhang MG*, Xiao ZR, Chen L, Cao CL, Zhang Y, Wei Q*, Li PF, Pressure-induced phase transitoins of CsSnBr3 perovskite from first-principles calculations. Physica Scripta, 97 (2022) 115811. (Link)
180. Yan HY, Chen L, Peng JH, Zhang Y, Zhang MG*, Wei Q*, Li PF, Pressure-induced phse transitions and mechanical properties of ternary nanolaminated carbide Mo2Ga2C from first-principles calculations. Journal of Materials Research and Technology, 20 (2022) 1699-1707. (Link)
179. Yan YQ, Wei Q*, Yan HY, Wu ZH, Zhang MG*, Stability and electronic properties of five new ternary tantalum carbonitrides. Computational Materials Science, 214 (2022) 111728. (Link)
178. Wei Q*, Zhang R, Zhang MG*, Zhang Y, Cao LH, Zhang JQ, Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl. ChemPhysMater, 1 (2022) 211-218. (Link)
177. Wei Q*, Yuan H, Tong W, Zhang MG*, Three new orthorhombic superhard metallic carbon allotropes. Diamond & Related Materials, 121 (2022) 108731. (Link)
176. Yang XC, Wei Q*, Zhang MG, Hu MW, Li LQ, Zhu XM*, o-Si32: anew direct band gap silicon allotrope. Chinese Physics B, 31 (2022) 026104. (Link)
2021：
175. Zhu XM*, Deng YC, Gao RP, Wei Q, Liu LX, Luo ZJ, Adaptive quantum state tomography via weak value. Resuls in Physics, 31 (2021) 104999. (Link)
174. Fan QY*, Liu H, Jiang L, Zhang W, Song YX, Wei Q*, Yu XY, Yun SN*, Three-dimensional metallic carbon allotropes with superhardness. Nanotechnology Reviews, 10 (2021) 1266-1276 . (Link)
173. Yan HY, Chen L, Peng JH, Chang X, Li PF, Zhang MG*, Wei Q*, High-pressure monoclinic phase of MoAlB. Results in Physics, 31 (2021) 104980. (Link)
172. Zhang R, Wei Q*, Wei B, Li LQ, Hu MW, Zhu XM, Yin Y, Zhang MG*, Stability and mechanical, electronic, and optical investgations of a new Heusler alloy: Ag2ScGe, Results in Physics, 27 (2021) 104518. (Link)
171. Tong W, Wei Q*, Wei B, Hu MW, Li LQ, Zhang MG*, Zhu XM, Orthorhombic Fmmm-C80: A new superhard carbon allotrope with direct band gap, Computational Materials Science, 198 (2021) 110689. (Link)
170. Yang RK*, Shi MM, Wu FP, Wei Q, Zhou Y, Xue MH, Study on the physical properties of Pm-3m-Os3X(X=V,Nb, and Ta) under high pressure by first principles, Applied Physics A-Materials Science & Processing, 127 (2021) 338. (Link)
169. Huang DH, Chen L, Zhang J, Li P, Wei Q, Zhang MG*, A tetragonal high-pressure phase of PtAs2, Results in Physics, 24 (2021) 104188. (Link)
168. Wei Q, Yang Y, Yang G, Peng XH*, New stable two dimentional silicon carbide nanosheets. Journal of Alloys and Compounds, 868 (2021) 159201. (Link)
167. Wei Q, Yang Y, Gavrilov A, Peng XH*, A new 2D auxetic CN2 nanostructure with high energy density and mechanical strength. Physical Chemistry Chemical Physics, 23 (2021) 4353-4364. (Link)
166. Yang RK*, Zhao ZQ, Wu FP, Wei Q, Xue MH, Study on structrual, mechanical, electronic properties and Debye temperature of four NbN structrues. Computational and Theoretical Chemistry, 1196 (2021) 113113. (Link)
2020：
165. Wei Q*, Zhang R, Wei B, Tong W, Yang RK, Yan HY, Zhang MG, Zhu XM, Yao RH, A new large-cell superhard carbon allotrope: orthorhombic oC240. Molecular Physics, 118 (2020) e1767815 . (Link)
164. Wei Q*, Yang XC, Hu MW, Yan HY, Wei B, Tong W, Yang RK, Zhang MG*, Zhu XM, Zhang R, High-throughput calculations screening for new direct band gap superhard carbon allotropes. Chinese Journal of Physics, 68 (2020) 778-787 . (Link)
163. Ma JL*, Wu YL, Fu ZF*, Wei Q, Chen HP, Guo J, Zhou JP, Liu P, Structural, mechanical, and electronic properties of P21/m-carbon. Chinese Journal of Physics, 67 (2020) 63-68. (Link)
162. Wei Q*, Zhang R, Wei B, Yang RK, Yan HY, Zhang MG*, Hu MW, Zhu XM, A new carbon allotrope with C28 cate: T-C64, Chinese Journal of Physics, 68 (2020) 647-653. (Link)
161. Ma JL*, Wu YL, Song DL, Fu ZF, Zhou JP, Liu P, Zhu XM, Wei Q*, A first-principles prediction of an sp3 carbon allotrope comprising four-, five- six-, and eight-member rings. Journal of Applied Physics, 127 (2020) 245112. (Link)
160. Yan HY, Chen L, Wei ZT, Zhang MG*, Wei Q*, Superhard high-pressure structures of beryllium diborocarbides. Vaccum, 180 (2020) 109617. (Link)
159. Zhu XM*, Yan HY, Zhang MG, Wei Q*, A new cubic superhard large-cell carbon allotrope: c-C200. Results in Physics, 19 (2020) 103457. (Link)
158. Yan HY, Wei ZT, Chen L, Zhang MG*, Wei Q*, A novel high-pressure polymorph of TaSi2. Results in Physics, 18 (2020) 103310. (Link)
157. Tong W, Wei Q*, Yan HY, Zhang MG*, Zhu XM, Accelerating inverse crystal structure prediction by machine learning: A case study of carbon allotropes. Frontiers of Physics, 15 (2020) 63501. (Link)
156. Wei Q*, Yang XC, Wei B, Hu MW, Tong W, Yang RK, Yan HY, Zhang MG*, Zhu XM, Yao RH, Orthorhombic carbon oC48: a new superhard carbon allotrope. Solid State Communications, 319 (2020) 113994. (Link)
155. Yan HY, Wei ZT, Zhang MG*, Wei Q*, Exploration of stable stoichiometries, ground-state structures, and mechanical properteies of the W-Si system. Ceramics International, 46 (2020) 17034-17043. (Link)
154, Ma JL*, Song DL, Wu YL, Fu ZF, Zhou JP, Liu P, Zhu XM, Wei Q, C72: A novel low energy and direct band gap carbon phase. Physics Letters A, 384 (2020) 126325. (Link)
153. Peng XH*, Wei Q, Yang G, Enhanced carrier mobility in anisotropic 2D tetrahex-carbon through strain engineering. Carbon, 165 (2020) 37-44. (Link)
152. Bai TT, Zhang GT*, Zhao YR, Chen L, Mu BX, Han YF, Wei Q, First-principles prediction of crystal structure and physical properties of ScB3. Molecular Physics, 118 (2020) e1603411 (Link)
151. Wei Q, Yang G, Peng XH*, Auxetic tetrahex-carbon with ultrahigh strength and direct band gap. Physical Review Applied, 13 (2020) 034065 (Link)
2019：
150. Jiang RJ*, Zhang JG, Wei Q, Xue MH, Structural, mechanical and electronic properteis of o-BC6N. Zeitschrift Fur Naturforschung A, 74 (2019) 1037-1042 (Link)
149. Yang XC, Wei Q*, Wei B, Yan HY, Yang RK, Zhang Mg, Chen QH, Wang XM, Yao RH, Zhao CY, Ding CY, Strucutral, elastic, and electronic properties of superhard monoclinic C32 under high pressure. Acta Physica Polonica A, 135 (2019) 940 (Link)
148. Yang RK*, Shi MM, Wei Q, Wu FP, Xue MH, Zhou Y, A first-principles study of the properties of P43m-Si3X2(X=N, P and As). Chinese Journal of Physics, 59 (2019) 535-545. (Link)
147. Wei Q*, Tong W, Wei B, Zhang MG*, Peng XH*, Six new silicon phases with direct band gaps. Physical Chemistry Chemical Physics, 21 (2019) 19963-19968. (Link)
146. Zhang R, Wei Q*, Wei B, YangRK, Cheng K, Zhang MG*, Yan HY, Chen QH, Xue MH, Structrual, elastic and electronic properties of new superhard orthorhombic C28. International Journal of Modern Physics B, 33 (2019) 1950227 (Link)
145. Wei Q*, Tong W, Yang RK, Yan HY, Wei B, Zhang MG, Yang XC, Zhang R, Orthorhombic C10: a new superdense carbon allotrope. Physics Letters A, 383 (2019) 125861 (Link)
144. Zhou YJ, Wei Q*, Wei B, Yang RK, Cheng K, Zhang MG, Yan HY, Chen QH, Zhang JQ, Pressure effects on mechanical and electronic properties of metallic C14 by first-peinciples calculations. International Journal of Modern Physics B, 33 (2019) 1950193. (Link)
143. Wei Q*, Zhao CY, Zhang MG*, Yan HY, Wei B, Peng XH*, New stable structures of HeN3 predicted using first-principles calculations. Journal of Alloys and Compounds 800 (2019) 505-511. (Link)
142. Wei Q*, Zhao CY, Zhang MG*, Yan HY, Wei B, High-pressure phases and pressure-induced phase transition of MoN6 and ReN6. Physics Letters A 383 (2019) 2429-2435 (Link)
141. Yang RK*, ChaiB, Wei Q, Xue MH, Zhou Y, First-principles study on the structural, elastic and electronic properties of the four Si3Sb4 compounds. Modern Physics Letters B 33 (2019) 1950047 (Link)
140. Zhang JQ*, Ma HH, Zhao B, Wei Q, Yang YT, The investigations on optical properties of TiN1-xCx ternary alloys. Physica B: Condensed Matter 556 (2019) 61-65 (Link)
139. Zhu CS, Yang RK*, Chai B, Wei Q, Zhang DY, Accelerating Pmn21-BAlNP properties prediction by machine learning based on first-principles calculation. Journal of Physicsand Chemistry of Solids 126 (2019) 224-233 (Link)
138. Zhang MG*, Yan HY, Wei Q*, Unexpected ground-state crystal structures and mechanical properties of transition metal pernitrides MN2 (M= Ti, Zr, and HF). Journal of Alloys and Compounds 774 (2019) 918-925 (Link)
2018：
137. Yang RK*, Ma Y, Wei Q, Zhang DY, Zhou Y, The structural, mechanical, electronic, optical and thermodynamic properties of t-X3As4 (X = Si, Ge and Sn) by first-principles calculations. Condensed Matter Physics 21 (2018) 43601. (Link)
136. Ma JL*, Fu ZF, Wei Q*, Liu P, Zhou JP, Pressure effenct on the mechanical and electronic properties of orthorhombic-C20. Modern Physics Letters B, (2018) . (link)
135. Yang RK*, Ma YC, Wei Q, Zhang DY, A first-principles investigation of the properties of two predicted novel structures of Sn3P4. Chinese Journal of Physics, 56 (2018) 886-894. (Link)
134. Yang RK*, Chai B, Wei Q, Zhang DY, First-principles calculations of the strcutral, elastic, electronic and optical properties of Si2P2O and Ge2P2O at high pressures. Chinese Journal of Physcs, (2018) (Link)
133. Zhu CS, Yan RK*, Wei Q, Zhang DY, Theoretical investigations of phases of AlAs by first-principles. Chinese Journal of Physics, (2018) (Link)
132. Yang RK*, Ma YC, Wei Q, Zhang DY, Properties of Cmc21-X2As2O (X = Si, Ge, and Sn) by First-Principles Calculations. Zeitschrift für Naturforschung A, 73 (2018) 1025-1035 (Link)
131. Zhang MG*, Yan HY, Wei Q, Effects of scandium addition on the structural stability and ideal strengths of magnesium-lithium alloys. Zeitschrift für Naturforschung A, 73 (2018) 947-956 (Link)
130. Yang RK*, Chai B, Wei Q, Zhang DY, A first-principles study of the properties of two novel Si3P4 phases. International Journla of Mordern Physics B, 32 (2018) 1850244. (Link)
129. Wei Q*, Zhang Q, Yan HY, Zhang MG*, Wei B, A new tetragonal superhard metallic carbon allotrope. Journal of Alloys and Compounds, 769 (2018) 347-352. (Link)
128. Yan HY*, Zhang MG, Zhang Y, Wei Q*, Pressure-induced structural phase trasformation of yttrium diborocarbide at high pressure. EPL, 122 (2018) 36004. (Link).
127. Zhao CY, Wei Q*, Yan HY, Wei B, Mechanical properties and stability of body-centered-tetragonal C8 at high pressures. Zeitschrift für Naturforschung A, 73 (2018) 939-946. (Link)
126. Zhao CY, Wei, Q*, Zhang MG, Yan HY, Zhang Q, Zhou YJ, Wei B, Ma JL, Pressure and strain effects on the structural, electronic and optical properties of K4 phosphorus. Zeitschrift für Naturforschung A, 73 (2018) 661-668. (Link)
125. Yan HY*, Zhang MG, Wei Q*, Zhang Y, A new orthorhombic ground-state phase and mechanical strengths of ternary B2CO compound. Chemical Physics Letters, 701 (2018) 86-92. (Link).
124. Zhang JQ*, Ma HH, Zhao B, Wei Q, Yang YT, First-principles investigations on structural, elastic and mechanical properties of BNxAs1-x ternary alloys. International Journal of Modern Physics B, 32 (2018) 1850152. (Link)
123. Wei Q*, Zhao CY, Zhang MG, Yan HY, Zhou YJ, Yao RH, A new superhard carbon allotrope: orthorhombic C20. Physics Letters A, 382 (2018) 1685-1689. (Link)
122. Zhang MG*, Yan HY, Zhang Y, Wei Q*, Mechanical strength and origin of the strengthening effect of tantalum in superhard W0.5Ta0.5B monoboride, Ceramics International, 44 (2018) 10463-10469. (Link)
121. Wei Q*, Zhang Q, Zhang MG*, Yan HY, Guo LX, Wei B, A novel hybrid sp-sp2 metallic carbon allorope. Frontiers of Physics, 13 (2018) 136105 (Link)
120. Yang RK*, MaSW, Wei Q, Zhang DY, Mechanical, Electronic and Optical Properties of Two Phases of NbB4: First-Principles Calculations. Zeitschrift für Naturforschung A, 73 (2018) 453-460 (Link)
119. Wei Q*, Zhang Q, Yan HY, Zhang MG*, Zhang JQ, Strain effects on the modulation of band gap and optical properties of direct band gap silicon. Materials Research Bulletin, 102 (2018) 1-7. (Link)
118. Fan QY*, Chai CC, Wei Q, Wong KQ, Liu YQ, Yang YT, Theoretical investigations of group IV alloys in the Lonsdaleite phase. Journal of Materials Science, 53 (2018) 2785-2801. (Link)
117. Fu ZF, Ma JL*, Wei Q, Liu P, Zhou JP, Li XC, Wang B, Ab initio predicted elastic and thermodynamic properties of Imm2-BN under high pressure. Chinese Journal of Physics, 56 (2018) 423-431. (Link)
2017:
116. Yang RK*, Chai B, Zhu CS, Wei Q, Du Z, First-principles study on the structural, elastic and electronic properties of Ti4N3 and Ti6N5 under high pressure. Modern Physics Letters B, 31 (2017) 1750349. (Link)
115. Yang RK*, Ma SW, Wei Q, Du Z, Mechanical, Electronic, and optical properties of beta-B6O: first principles calculations. Zeitschrift für Naturforschung A, 72 (2017) 805. (Link)
114. Wei Q*, Zhang Q, Yan HY, Zhang MG, Shi XF, Zhu XM, Prediction of stable ground-state and pressure-induced phase transition of molybdenum monosulfide. Materials Science and Engineering: B 226 (2017) 114-119. (Link)
113. Yang RK*, Zhu CS, Wei Q, Zhang DY, First-principles study on phases of AlP. Solid State Communications 267 (2017) 23-28. (Link)
112. Zhao CY, Wei Q*, Yan HY, Zhu XM, Li RX, Zhang JQ, Elastic anisotropy and stability of Rh2B and RhB2 at high pressure. Chinese Journal of Physics 55 (2017) 1981-1987. (Link)
111. Yang RK*, Zhu CS, Wei Q, Du Z, First-principles study of hte properties of Pmn21-B1-xAlxN. Philosophical Magazine 97 (2017) 3008-3026. (Link)
110. Zhao B, Zhang JQ*, Ma HH, Wei Q, Yang YT, Structure, electronic and mechanical properties of Ga1-xBxP alloys. Physica B 521 (2017) 295-304. (Link)
109. Fan QY*, Chai CC, Wei Q, Zhou PK, Yang YT, Two novel Ge phases and their Si-Ge alloys with excellent electronic and optical properties. Materials & Design 132 (2017) 539-551. (Link)
108. Yang RK*, Zhu CS, Wei Q, Xiao K, Du Z, First-principles study of optical, elastic anisotropic and thermodynamic properties of TiN under high temperature and high pressure. Condensed Matter Physics 20 (2017) 23601. (Link)
107. Yang RK*, Zhu CS, Wei Q, Du Z, Phase stability, mechanical and optoelectronic properties of tow novel phases of AlN. Modern Physics Letters B 31 (2017) 1750201. (Link)
106. Ma HH, Zhang JQ*, Zhao B, Wei Q, Yang YT, First-principles study on mechanical and elastic properties of BxAl1-xP alloys. AIP Advances 7 (2017) 065007 (Link)
105. Zhang MG*, Yan HY, Wei Q*, Zheng BB, Reinvestigation of mechanical properties and shear-induced atomic deformation of tetragonal superhard semiconducting OsB4. Journal of Physical Chemistry C 121 (2017) 6290-6299 (Link)
104. Zhang Q, Wei Q*, Yan HY, Zhu XM, Zhang JQ, Jia XF, Yao RH, Stability, elastic anisotropy and electronic properties of Ca2C3. Chinese Physics B 26 (2017) 066201 (Link)
103. Zhang Q, Wei Q*, Yan HY, Zhu XM, Shi XF, Zhang JQ, Elastic anisotropy and thermodynamic properties of superhard c-C3N under pressure. Diamond and Related Materials 74 (2017) 132-137 (Link)
102. Fan QY*, Chai CC, Wei Q, Yang YT, Thermodynamic, elastic, elastic anisotropy and minimum thermal conductivity of beta-GaN under high temperature. Chinese Journal of Physics 55 (2017) 400-411 (Link)
101. Yang RK*, Zhu CS, Wei Q, Du Z, A first-principles study of the properties of four predicted novel phases of AlN. Journal of Physics and Chemistry of Solids 104 (2017) 68-78.. (Link)
100. Zhu XM*, Wei Q, Direct state tomography using continuous variable measuring device. Annals of Physics, 376 (2017) 283-295. (Link)
99. Yan HY*, Zhang MG, Zheng BB, Wei Q, Zhang Y, Modeling the elastic anisotropies and mechanical strengths of Ir3X intermtallics. Journal of Alloys and Compunds, 696 (2017) 611-618. (Link)
98. Wei Q*, Zhang Q, YanHY, Zhang MG*, A new superhard carbon allotrope: tetragonal C64. Journal of Materials Science, 52 (2017) 2385-2391 (Link)
2016：
97. Zhao YR, Zhang HR, Zhang GT, Wei Q, Yuan YQ*, First -principles investigation on elastic and thermodynamic properties of Pnnm-CN undre high pressre. AIP Advances, 6 (2016) 125040. (Link)
96. Zhang MG*, Cheng K, Yan HY, Wei Q*, Zheng BB, Electronic bonding analyses and mechanical strengths of incompressible tetragonal transition me[ant]tal dinitrides TMN2 (TM=Ti, Zr, and Hf). Scientific Reports 6 (2016) 36911 (Link)
95. Wei Q*, Zhang Q, Yan HY, Zhang MG*, Cubic C3N: a new superhard phase of carbon-rich nitride. Materials 9 (2016) 840, (Link)
94. Wei Q*, Zhang Q, Zhang MG*, Mechanical and electronic properties of XC6 and XC12. Materials 9 (2016) 726. (Link)
93. Fan QY, Chai CC, Wei Q*, Zhou PK, Yang YT, Elastic anisotropy and electronic properties of Si3N4 under pressure. AIP Advances 6 (2016) 085207. (Link)
92. Wei Q*, Zhang MG, Yan HY, First-priniples investigation of high pressure Pbca phase of carbon mononitride. Physics Letters A 380 (2016) 3217-3221. (PDF)
91. Zhang GT, Zhao YR, Bai TT, Wei Q, Yuan YQ*, A new hard phase and physical propertties of Tc2C predicted from first principles. RSC Advances 6 (2016) 66066-66073. (Link)
90. Wei Q*, Zhang Q, Zhang MG*, Crystal structures and mechanical properties of Ca2C at high pressure. Materials 9 (2016) 570. (Link)
89. Li XF*, Yan HY, Wei Q, Structural and mechanical properties of transition me[ant]tal borides Nb2MB2 (M=Tc, Ru, and Os) under pressure. Solid State Communications 245 (2016) 68-75.（PDF)
88. Yang RK*, Zhu CS, Wei Q, Du Z, Investigations on structural, elastic, thermodynamic and electronic properties of TiN, Ti2N and Ti3N2 under high pressure by first-principles. Journal of Physics and Chemistry of Solids 98 (2016) 10-19. (PDF)
87. Fan QY*, Chai CC, Wei Q, Yang YT, Two Novel C3N4 Phases: Structural, Mechanical and Electronic Properties. Materials 9 (2016) 427. (Link)
86. Fan QY*, Chai CC, Wei Q, Yang YT, Mechanical and electronic properties of carbon-rich silicon carbide. Materials 9 (2016) 333. (Link) SCI: 000378628500028
85. Fan QY, Wei Q*, Chai CC, Yan HY, Zhang MG, Zhang ZX, Zhang JQ, Zhang DY, Structural, anisotropic and thermodynamic properties of boron carbide: First principles calculations. Indian Journal of Pure & Applied Physics, 54 (2016) 227-235. (PDF) SCI: 000375349000001
84. Fan QY*, Chai CC, Wei Q, Yang JH, Zhou PK, Zhang DY, Yang YT, A new phase of GaN. Journal of Chemistry 2016 (2016) 8612892. (PDF) SCI: 000374952000001
83. Fan QY*, Chai CC, Wei Q, Zhou PK, Zhang JQ, Yang YT, Si96: A new silicon allothope with interesting physical properties. Materials 9 (2016) 248. (Link) SCI: 000375158900070
82 . Fan QY, Chai CC, Wei Q*, Yang YT, Two novel silicon phases with direct gap. Physical Chemistry Chemical Physics 18 (2016) 12905-12913. (PDF) SCI: 000375689200057
81. Zhang Q, Wei Q*, Yan HY, Fan QY, Zhu XM, Zhang JQ, Zhang DY, Mechanical and electronic properties of P42/mnm silicon carbides. Zeitschrift für Naturforschung A 71 (2016) 387-396. (PDF) SCI: 000375867700001
80. Zhang Q, Wei Q*, Yan HY, Zhang ZX, Fan QY, Jia XF, Zhang JQ, Zhang DY, First-principle study of structral, elastic anisotropic and thermodynamic properties of P-4m2-BC7,Acta Physica Polonica A, 129 (2016) 329-333. (PDF) SCI: 000373201000012
79. Fan QY, Wei Q*, Chai CC, Yang YT, Yu XH, Yang L, Zheng JP, Zhou PK, Zhang DY, The elastic anisotropic and thermodynamic properties of I4mm-B3C, Acta Physica Polonica A, 129 (2016) 103-108. (PDF) SCI: 000371642600020
78. Wei Q*, Yan HY, Zhu XM, Lin ZZ, Yao RH, Theoretical investigations on the elastic and thermodynamic properties of rhenium phosohide. Zeitschrift für Naturforschung A, 71 (2016) 1-8. (PDF) SCI: 000368086900001
77. Fan QY*, Chai CC, Wei Q, Yang Q, Zhou PK, Xing MJ, Yang YT, Mechenical and electronic properties of Si, Ge and their alloys in P42/mnm structure. Materials Science in Semiconductor Processing, 43 (2016) 187-195. (PDF) SCI: 000370093200028
76. Fan QY, Chai CC, Wei Q*, Yang YT, Yang Q, Chen PY, Xing MJ, Zhang JQ, Yao RH, Prediction of novel phase of silicon and Si-Ge alloys. Journal of Solid State Chemistry, 233 (2016) 471-483. (PDF) SCI: 000369881200064
2015：
75. Peng XH, Wei Q, Li Y, Chan CK*, First-principles study of Lithiation of type I Ba-doped silicon clathrates, Journal of Physical Chemistry C, 119 (2015) 28247. (PDF) SCI: 000367561700002 IF: 4.509
74. Wei Q*, Zhang MG*, Yan HY, Li RX, Zhu XM, Lin ZZ, Yao RH, A new superhard phase of C3N2 polymorphs. Zeitschrift für Naturforschung A 70 (2015) 1001. (PDF) SCI: 000368086700001 IF: 0.886
73. Fan QY, Wei Q*, Chai CC, Yu XH, Liu Y, Zhou PK, Yan HY, Zhang DY, First-principles study of strucral, elastic, anisotropic, and thermodynamic properties of R3-B2C. Chinese Journal of Physics 53 (2015) 100601. (PDF) SCI: 000365814100011 IF: 0.464
72. Fan QY, Chai CC, Wei Q*, Yan HY, Zhao YB, Yang YT, Yu XH, Liu Y, Xing MJ, Zhang JQ, Yao RH, Novel silicon allotropes: stability, mechanical, and electronic properites. Journal of Applied Physics 118 (2015) 185704. (PDF) SCI: 000365041700050 IF: 2.101
71. Zhang MG*, Yan HY, Zheng BB, Wei Q, Influences of carbon concentration on crystal structures and ideal strengths of B2CxO compounds in the B-C-O system, Scientific Reports 5 (2015) 15481. (PDF) SCI: 000363123000002 IF: 5.228
70. Fan QY, Chai CC, Wei Q* , Yang YT, Qiao LP, Zhao YB, Zhou PK, Xing MJ, Zhang JQ, Yao RH, Mechanical and electronic properties of Ca1-xMgxO alloys, Materials Science in Semiconductor Processing 40 (2015) 676-684. (PDF) SCI: 000363344600095 IF: 2.264
69. Zhang MG*, Yan HY, Wei Q, Liu HY*, A new high-pressure polymeric nitrogen phase in potassium azide, RSC Advvances, 5 (2015) 11825-11830. (PDF) SCI: 000348985400017 IF: 3.289
68. Fan QY, Wei Q*, Chai CC, Yan HY, Zhang MG, Lin ZZ, Zhang ZX, Zhang JQ, Zhang DY, Structural, mechanical, and electronic properties of P3m1-BCN. Journal of Physics and Chemistry of Solids, 79 (2015) 89-96. (PDF) SCI: 000349505000012 IF: 2.048
67. Fan QY, Wei Q*, Chai CC, Zhang MG, Yan HY, Zhang ZX, Zhang JQ, Zhang DY, Elastic and electronic properties of Imm2- and I-4m2-BCN. Computational Materials Science, 97 (2015) 6-13. (PDF) SCI: 000345508100002 IF: 2.086
2014：
66. Peng XH*, Wei Q, Chemical scissors cut phosphorene nanostructures. Materials Research Express, 1 (2014) 045041. (PDF) SCI: 000209665400043, IF: 0.968
65. Peng XH*, Copple A, Wei Q, Edge effects on the electronic properties of phosphorene nanoribbons. Journal of Applied Physics, 116 (2014) 144301. (PDF) SCI: 000343988000032 IF: 2.185
64. Fan QY, Wei Q*, Yan HY, Zhang MG, Zhang DY, Zhang JQ, A new potential superhard phase of OsN2, Acta Physica Polonica A 126 (2014) 740-746. (PDF) SCI: 000342544900018 IF:0.604
63. Guo P*, Zheng J, Guo X, Cao L, Wei Q, Electronic and magnetic properties of transition-me[ant]tal-doped sodium superatom clusters: TM@Na8 (TM = 3d, 4d and 5d transition me[ant]tal), Computational Materials Science, 95 (2014) 440-445. (PDF) SCI: 000343781700058 IF: 1.879
62. Peng XH*, Wei Q, Copple A, Strain-engineered direct-indirect band gap transition and its mechanism in two-dimensional phosphorene, Physical Review B, 90 (2014) 085402. (PDF) SCI: 000339998600004 IF: 3.664
61. Wei Q*, Zhang MG*, Yan HY, Lin ZZ, Zhu XM, Structural, electronic and mechanical properties of Imma-carbon, EPL, 107 (2014) 27007. (PDF) SCI: 000340779900026 IF: 2.269
60. Yan HY*, Zhang MG, Zhao YR, Wei Q, Zhou XC, Elastic anisotropy and shear-induced atomistic deformation of tetragonal silicon carbon nitride. Journal of Applied Physics, 116 (2014) 023509. (PDF) SCI: 000340267600021 IF: 2.185
59. Wei Q, Peng XH*, Superior mechanical flexibility of phosphorene and few-la[ant]yer black phosphorus. Appllied Physics Letters, 104 (2014) 251914. (PDF) SCI: 000338515900040 IF: 3.515
58. Wagner NA, Raghavan T, Zhao R, Wei Q, Peng XH, Chan CK*, Electrochemical cycling of sodium-filled silicon clathrate. ChemElectroChem, 1 (2014) 347-353. (PDF) SCI: 000338295400007
57. Zhang MG*, Wei Q*, Yan HY, Zhao YR, Wang H, A novel superhard tetragonal carbon mononitride. Journal of Physical Chemistry C, 118 (2014) 3202-3208. (PDF) SCI: 000331493400036 IF: 4.835
56. Fan QY, Wei Q*, Yan HY, Zhang MG, Zhang ZX, Zhang JQ, Zhang DY, Elastic and electronic properties of Pbca-BN: first principles calculations. Computational Materials Science, 85 (2014) 80-87. (PDF) SCI: 000331724000010 IF: 1.879
55. Zhang MG*, Yan HY, Zhao YR, Wei Q*, Mechanical properties and atomistic deformation mechanism of spinel-type BeP2N4. Computational Materials Science, 83 (2014) 457-462. (PDF) SCI: 000329400700063 IF: 1.879
54. Lin ZZ*, Wei Q, Zhu XM, Modulating the electronic properties of graphdiyne nanoribbons. Carbon 66 (2014) 504-510. (PDF) SCI: 000327575200056 IF: 6.160
2013：
53. Zhang MG, Yan HY, Wei Q, Huang DH, Elastic and thermodynamic properties of Re2N at high pressure and high temperature. Trans. Nonferrous Met. Soc. China, 23 (2013) 3714-3721. (PDF)
52. Zhu XM, Wei Q, Liu QH, Wu SJ, Negative probabilities and information gain in weak measurements. Physics Letters A 377 (2013) 2505-2509. (PDF)
51. Ma JL, Fu ZF, Wei Q, Zhang HM, Uniaxial stress induced electron mobility enhancement in silicon. Silicon 5 (2013) 219-224. (PDF)
50. Yan HY,Zhang MG, Wei Q, Guo P, Theoretical study on tetragonal transition me[ant]tal dinitrides from first principles calculations. Journal of Alloys and Compounds 581 (2013) 508-514. (PDF)
49. Yan HY,Zhang MG, Wei Q, Guo P, Elastic anisotropy and thermodynamic properties of tetrahedrally bonded dense C2N2(NH) under high pressure and high temperature. Physica Status Solidi B 250 (2013) 1293-1299. (PDF)
48. Zhang MG, Yan HY, Wei Q, Wang H, Exploration on pressure-induced phase transition of cerium mononitride from first principle calculations, Applied Physics Letters 102 (2013) 231901. (PDF)
47. Wei Q, Zhang MG, Guo LX, Yan HY, Zhu XM, Lin ZZ, Guo P, Ab initio studies of novel carbon nitride phase C2N2(CH2), Chemical Physics 415 (2013) 36-43. (PDF)
46. Zhang MG, Yan HY, Wei Q, Wang H, Wu ZJ, Novel high-pressure phase with pseudo-benzene "N6" molecule of LiN3, EPL, 101 (2013) 26004. (PDF)
45. Yan HY, Zhang MG, Huang DH, Wei Q, First-princile study of elastic and thermodynamic properties of orthorhombic OsB4 under high pressure. Solid State Sciences 18 (2013) 17-23. (PDF)
44. Zhang MG, Yan HY, Wei Q, Wang H, Universal ground state hexagonal phases and mechanical properties of stoichiometric transition me[ant]tal tetraborides: TMB4 (TM=W, Tc, and Re). Computational Materials Science 68 (2013) 371-378. (PDF)
43. Yan HY, Zhang MG, Wei Q, Guo P, Ab initio studies of ternary semiconductor BeB2C2, Computational Materials Science, 68 (2013) 174. (PDF)
2012:
46. Zhang MG, Yan HY, Wei Q, Wang H, Mechanical and electronic properties of novel tungsten nitride, EPL, 2012, 100: 46001. (PDF)
45. Zhang PX, Zhang DY, Huang L, Wei Q, Lin MC, Ren XZ, First-principles study on the electronic structure of a LiFePO4 (010) surface adsorbed with carbon. Journal of Alloys and Compounds, 2012, 540: 121-126. (PDF)
44. Zhang MG, Yan HY, Wei Q, Wang H, Pressure-induced phase transition and mechanical properties of molybdenum diboride: First principles calculations. Journal of Applied Physics, 2012, 112: 013522. (PDF)
43. Wei Q, Brik MG, Guo LX, Wei B, Investigations of g factors for the 2E state of V2+ ions in Al2O3 crystals. Spectrochimica Acta Part A, 2012, 97: 50-53. (PDF)
42. Wei Q, Guo LX, Wei B, Zhu XM, Optical spectra and defect structure for V2+ ions in ZnS at low temperature. Physica B, 407 (2012) 2808-2810. (PDF)
41. Zhang MG, Yan HY, Zhang GT, Wei Q, Wang H, First-principles calculations on crystal structure and physical properties of rhenium dicarbide. Solid State Communications, 152 (2012) 1030-1035. (PDF)
40. Wei Q, Guo LX, Wei B, Yang ZY, Analysis of optical spectra and SH parameters of V3+ centers in ZnO crystals. Optical Materials, 34 (2012) 1092-1094. (PDF)
39. Zhang MG, Yan HY, Zhang GT, Wei Q, Wang H, Tetragonal high-pressure phase of InI predicted from first principles. Physica B: Condensed Matter, 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. Ma JL, Zhang HM, Song JJ, Wei Q, Wamg XY, Wang GY, Xu XB, Energy Band Structure of Silicon Under Uniaxial Stress in the (110) Plane Along an Arbitrary Direction. Chinese Journal of Physics, 2012, 49: 1244-1254 (PDF)
36. Ma JL, Zhang HM, Wang XY, Wei Q, Wamg GY, Xu XB, Valence band structure and hole effective mass of uniaxial stressed Gremanium, Journal of Computational Electronics, 2011, 10: 388-393. (PDF)
35. Wei Q, Guo L X, Yang Z Y, Wei B, Zhang D Y, Studies of the defect structure for V3+ ions in wurtzite structure ZnO, Spectrochimica Acta Part A, 2011, 82: 137-139. (PDF)
34. Wei Q, Guo L X, Yang Z Y, Wei B, Spin-spin and spin-other-orbit interactions of spin-Hamiltonian parameters for 3d2/8ions in Al2O3crystals, Acta Physica Polonica A, 2011, 119(6): 857-859 (PDF)
33. Wei Q, Guo L X, Yang Z Y, Wei B, Studies of the g factors of the ground 4A2and the first excited 2E state of Cr3+ions in emerald. Spectrochimica Acta Part A, 2011, 79: 1187-1190. (PDF)
32. Yan H Y, Wei Q, Chang S M, Guo P, Structural, Mechanical, and Electronic Properties of Titanium borides: A First-Principle Calculation, Trans. Nonferrous Met. Soc. China, 2011, 21(7): 1627-1633 (PDF)
31. Zhang D Y, Yi J, Wei Q, Liu K, Fan Z Z, Zhang P X, Study on the Rate Performance of LiCo1/3Ni1/3Mn1/3O2, Advaced Materials Research, 2011, 158: 256-261 (PDF)
30. Yan H Y, Wei Q, Chang S M, Guo P, Ab initio study of ultra-incompressible ternary BeCN2polymorph, J. Phys. Chem. Solids, 2011, 72: 667-672 (PDF)
29. Yan H Y, Wei Q, Chang S M, Guo P, A first principle study of antifluorite Be2X (X = C, Si) polymorph, Acta Physica Polonica A, 2011, 119(3): 442-446 (PDF)
28. Yan H Y, Wei Q, Zheng B B, Guo P, Low-compressibility and hard material carbon nitride imide C2N2(NH): First-principles calculations, J. Solid State Chem., 2011, 184: 572-577 (PDF)
2010：
27. Wei Q, Investigations of the optical and EPR spectra for Cr3+ions in diammonium hexaaqua magnesium sulphate single crystal, Acta Physica Polonica A, 2010, 118: 670-672 (PDF)
26. Wei Q, Investigations of the EPR and optical spectra for VO2+ in C3H7NO2 powders, Acta Physica Polonica A, 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. Wei Q, Yang Z Y, Theoretical investigations on the g factors of E(2E) state for Cr3+ions in Al2O3crystal, J. Magn. Magn. Mater., 2009, 321: 1875-1877 (PDF)
23. Wei Q. Xu Q M Theoretical study on zero-field splitting of 4T2states for 3d3ions at tetragonal symmetry, Pramana J. Phys., 2009, 72: 735-742 (PDF)
22. Wei Q. The approximate analytical ex[ant]pressions of SS, SOO and combined mechanisms for 3d3ions at trigonal symmetry. Z. Naturforsch. A, 2009, 9/10: 646-652 (PDF)
21. Wei Q, Xu Q M,Yang Z Y, Zhang D Y, Zhang J G, Zero-field splitting and local structure for V2+ions in CsMgX3(X=Cl, Br, I) crystals. Pramana J. Phys., 2009, 73: 939-944 (PDF)
20. Wei Q., Zhang P X, Zhang D Y, Zhou J H. Investigations of the EPR spectra for VO2+in CaO-Al2O3-SiO2system. Pramana J. Phys., 2009, 73: 1087-1094 (PDF)
2008：
19. Wei Q, Xu Q. M., Yang Z. Y., Zhang D. Y., Zhang J. G. Theoretical study on the local structure and the spin-Hamiltonian parameters for Ni2+ions at Nb sites in LiNbO3 crystal, Phsysica Status Solidi (b), 2008, 245: 193-196 (PDF)
18. Wei Q., Investigations on the spin-Hamiltonian parameters and local structure for Ni2+ions in CsMgX3(X=Cl, Br, I) crystals, Z. Naturforsch. A, 2008, 63: 188-192 (PDF)
17. Wei Q., Theoretical study on zero-field splitting of a4T1states for 3d3ions at tetragonal symmetry. Chinese J. Phys., 2008, 46: 181-188 (PDF)
16. Wei Q, Yang Z. Y., Explanations of g factors of the first excited 2E state for Al2O3: Mn4+system. Solid State Commun., 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. Wang CJ, Wei Q, Mei DC Associated relaxation time and the correlation function for a tumor cell growth system subjected to color noises. Phys. Lett. A, 2008, 372: 2176-2182 (PDF)
13. Wu JW, Guo HK, Wei Q, Gu ZQ, Superconducting energy gap in fullerides. 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. Wei Q, Yang Z. Y., Xu Q. M. Study on the local structure and the spin-Hamiltonian parameters for Cu3+ions in Al2O3crystal, Physica Status Solidi (b), 2007, 244 (6): 1997-2001 (PDF)
9. Wang C J, Wei Q, Mei D C, Mean first-passage time of a tumor cell growth system subjected to a colored multiplicative noise and a white additive noise with colored cross-correlated noise. Modern Physics Letters B, 2007, 13: 789-797 (PDF)
8. Wei Q, Yang Z. Y.,Wang C. J., Xu Q. M., Theoretical investigations of zero-field splitting of excited states for d3ions in trigonal crystal fields. Spectrochimica Acta Part A, 2007, 68: 665-668 (PDF)
Before 2006：
7. Wei Q. Spin Hamiltonian parameters and structural disorder analysis for Cr3+ ion in YGG crystals. Solid State Communications, 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. Yang Z Y, Wei Q. On the relations between the crystal field parameter notations in the “Wybourne” notation and the conventional ones for 3dNions in axial symmetry crystal field. Physica B, 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)