发表论文：

1. X.W. Sun*, H.F. Zhu, X.L. Gao, T. Song, Z.J. Liu, Tunable low-frequency bandgaps of a new two-dimensional multi-component phononic crystal under different pressures, geometric parameters and pre-compression strains, Mechanics of Advanced Materials and Structures 29 (2022) 4019-4031.

2. 孙小伟*，宋婷，刘子江，万桂新，张磊，常文利，氟化镁高压萤石结构稳定性及热物性的数值模拟，物理学报69(2020) 156202-12.

3. X.W. Sun*, Z.J. Liu, W.L. Quan, T. Song, R. Khenata, S. Bin-Omran, High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations, Journal of Physics and Chemistry of Solids116 (2018) 209-215.

4. X.W. Sun*, N. Bioud, Z.J. Fu, X.P. Wei, T. Song, Z.W. Li, High-pressure elastic properties of cubic Ir₂P from ab initio calculations, Physics Letters A 380 (2016) 3672-3677.

5. X.W. Sun*, Y.D. Chu, Z.J. Liu, T. Song, J.H. Tian, X.P. Wei, First-principles prediction of the equation of state for TcC with rocksalt structure, Chemical Physics Letters 614 (2014) 167-170.

6. X.W. Sun*, T. Song, X.P. Wei, W.L. Quan, X.B. Liu, W.F. Su, Thermal stability and thermal expansion studies of cubic fluorite-type MgF₂ up to 135 GPa, Materials Research Bulletin 52 (2014) 151-157.

7. X.W. Sun*, T. Song, Z.J. Liu, W.L. Quan, J.H. Tian, P. Guo, Ab initio prediction of the first and second pressure derivatives of isothermal bulk modulus for the high-pressure rocksalt phase of ZnO, Chemical Physics Letters 559 (2013) 46-49.

8. X.W. Sun*, Y.D. Chu, J.H. Tian, T. Song, W.L. Quan, Q.F. Chen, Prediction of the pressure-volume-temperature equation of state for zinc-blende ZnO from quasi-harmonic Debye model, Solid State Communications 166 (2013) 27-31.

9. X.W. Sun*, Y.D. Chu, W.L. Quan, Q.F. Chen, X.R. Chen, T. Song, J.H. Tian, The effect of the phase transition on the elasticity of cubic platinum carbide, Journal of Materials Science 48 (2013) 1660-1668.

10. X.W. Sun, X.R. Chen*, J. Zhu, Q.F. Chen, L.C. Cai, F.Q. Jing, Thermoelastic parameter αK_T of sodium chloride at high pressure and high temperature, Journal of Physics and Chemistry of Solids 73 (2012) 992-998.

11. X.W. Sun, L.C. Cai, Q.F. Chen*, X.R. Chen, F.Q. Jing, Structural, thermodynamic, electronic, and optical properties of NaH from first-principles calculations, Materials Chemistry and Physics 133 (2012) 346-355.

12. X.W. Sun*, Z.J. Liu, T. Song, Z.R. Zhang, B. Kong, Q.F. Chen, Effects of temperature and pressure on the thermal expansion of sodium chloride, Physica Scripta 85 (2012) 045707-6.

13. X.W. Sun*, Z.J. Liu, T. Song, W.L. Quan, Q.F. Chen, The thermodynamic properties of cubic fluorite-type MgF₂: first-principles prediction, Physica Scripta 85 (2012) 065707-5.

14. X.W. Sun*, Y.D. Chu, Z.J. Liu, B. Kong, T. Song, J.H. Tian, Molecular dynamics of NaCl melting under pressure, Physica B 407 (2012) 60-63.

15. X.W. Sun*, Q.F. Chen*, X.R. Chen*, L.C. Cai, F.Q. Jing, First-principles investigations of elastic stability and electronic structure of cubic platinum carbide under pressure, Journal of Applied Physics 110 (2011) 103507-9.

16. X.W. Sun, Q.F. Chen*, X.R. Chen*, L.C. Cai, F.Q. Jing, Ab initio study of phase transition and bulk modulus of NaH, Journal of Solid State Chemistry 184 (2011) 427-431.

17. X.W. Sun, Q.F. Chen*, L.C. Cai, X.R. Chen*, F.Q. Jing, High-temperature and high-pressure thermal expansivity of cubic PtC from quasi-harmonic Debye model, Chemical Physics Letters516 (2011) 158-161.

18. X.W. Sun*, T. Song, Z.J. Liu, C.R. Zhang, J.H. Tian, P. Guo, High-pressure and high-temperature bulk modulus of cubic fluorite-type MgF₂ from quasi-harmonic Debye model, Solid State Communications151 (2011) 1507-1510.

19. X.W. Sun*, Z.Y. Zeng, T. Song, Z.J. Fu, B. Kong, Q.F. Chen, Erratum to ‘First-principles calculations of phase transition and bulk modulus of PtC’ [Chem. Phys. Lett. 496 (1–3) (2010) 64–67], Chemical Physics Letters 510 (2011) 278.

20. X.W. Sun*, Z.Y. Zeng, T. Song, Z.J. Fu, B. Kong, Q.F. Chen, First-principles calculations of phase transition and bulk modulus of PtC, Chemical Physics Letters496 (2010) 64-67.

21. X.W. Sun*, T. Song, Y.D. Chu, Z.J. Liu, Z.R. Zhang, Q.F. Chen, The high-pressure melting curve of CaO, Solid State Communications150 (2010) 1785-1788.

22. X.W. Sun*, Z.J. Liu, Q.F. Chen, T. Song, C.W. Wang, Effect of pressure on the thermal expansion of MgO up to 200 GPa, Chinese Physics B 18 (2009) 5001-7.

23. X.W. Sun*, Z.J. Liu, Q.F. Chen, W.L. Quan, Z.G. Chen, Y.H. Li, Comparative investigations of the thermal expansivity of MgO at high temperature, Materials Research Bulletin 44 (2009) 1729-1733.

24. X.W. Sun*, Y.D. Chu, Z.J. Liu, T. Song, P. Guo, Q.F. Chen, Shell and breathing shell model calculations for isothermal bulk modulus in MgO at high pressures and temperatures, Materials Chemistry and Physics 116 (2009) 34-40.

25. X.W. Sun*, Y.D. Chu, Z.J. Liu, Q.F. Chen, Q. Song, T. Song, Simulated equation of state of CaF₂ with fluorite-type structure at high temperature and high pressure, Physica B404 (2009) 158-162.

26. X.W. Sun*, X.G. Wang, T. Song, Y.H. Li, Y.X. Liu, Q.F. Chen, Comparative investigations of the P-V-T relationship of NaCl at high pressure and temperature, Physica B403 (2008) 3255-3260.

27. X.W. Sun*, Z.J. Liu, T. Song, X.B. Liu, C.W. Wang, Q.F. Chen, Heat capacity and Grüneisen parameter for GaN with zinc-blende structure, Chinese Journal of Chemical Physics20 (2007) 233-236.

28. X.W. Sun*, Y.D. Chu, T. Song, Z.J. Liu, L. Zhang, X.G. Wang, Y.X. Liu, Q.F. Chen, Application of a shell model in molecular dynamics simulation to ZnO with zinc-blende cubic structure, Solid State Communications 142 (2007) 15-19.

29. X.W. Sun*, T. Song, Z.J. Liu, Q.F. Chen, X.B. Liu, C.W. Wang, Comparative investigations of the P-V-T relationship of MgO with shell and breathing shell model molecular dynamics simulations, Physica B399 (2007) 9-16.

30. X.W. Sun*, Z.J. Liu, Q.F. Chen, J.N. Yu, C.W. Wang, Molecular dynamics simulation of P-V-T relationship of ZnO with rock-salt structure using pair-wise interactions, Journal of Physics and Chemistry of Solids68 (2007) 249-255.

31. X.W. Sun*, Z.J. Liu, Q.F. Chen, H.W. Lu, T. Song, C.W. Wang, Heat capacity of ZnO with cubic structure at high temperatures, Solid State Communications 140 (2006) 219-224.

32. X.W. Sun*, Z.J. Liu, Q.F. Chen, Y.D. Chu, C.W. Wang, Thermal expansivity and bulk modulus of ZnO with NaCl-type cubic structure at high pressures and temperatures, Physics Letters A 360 (2006) 362-366.

33. X.W. Sun*, Q.F. Chen, C.W. Wang, Y. Li, J. Wang, Melting and isothermal bulk modulus of the rocksalt phase of ZnO with molecular dynamics simulation, Physica B355 (2005) 126-133.

34. X.W. Sun*, Q.F. Chen, Y.D. Chu, C.W. Wang, Properties of MgO at high pressures: Shell-model molecular dynamics simulation, Physica B 370 (2005) 186-194.

35. X.W. Sun*, Q.F. Chen, Y.D. Chu, C.W. Wang, Structural and thermodynamic properties of GaN at high pressures and high temperatures, Physica B368 (2005) 243-250.

36. 孙小伟*，褚衍东，刘子江，刘玉孝，王成伟，刘维民，高温高压下闪锌矿相 GaN 结构和热力学特性的分子动力学研究，物理学报，54 (2005) 5830-7.

37. K.-Y. Li, X.-W. Sun*, T. Song, X.-D. Wen, Y.-W. Wang, X.-X. Liu, Z.-J. Liu, A high-sensitivity liquid concentration-sensing structure based on a phoxonic crystal slot nanobeam, Journal of Applied Physics 131 (2022) 024501-13.

38. Y.-M. Zhang, T. Song*, J.-H. Tian, Z.-J. Liu, S.-M. Xue, X.-W. Sun*, Ordered structure and mechanical properties of ternary Sc_0.5TM_0.5B₂ (TM = Ti, V, Zr) alloys under high pressure, Ceramics International 48 (2022) 16778-16791.

39. Y.-M. Zhang, M.-R. Chen, T. Song*, J.-H. Tian, Z.-J. Liu, X.-W. Sun*, Prediction of the pressure-induced phase transition, mechanical properties, and electronic structures for ScB₄ via first principle calculations, Applied Physics A 128 (2022) 600-13.

40. X.-W. Wang, X.-W. Sun*, T. Song, J.-H. Tian, Z.-J. Liu*, Structural transition, mechanical properties and electronic structure of the ZnO under high pressure via first-principles investigations, Applied Physics A 128 (2022) 707-15.

41. X.-W. Wang, X.-W. Sun*, T. Song, J.-H. Tian, Z.-J. Liu*. Development of the new interatomic potentials for the wurtzite phase of ZnO, Applied Physics A 128 (2022) 482-12.

42. M.-R. Chen, J.-H. Tian*, T. Song, Z.-J. Liu, X.-W. Sun*, Effect of Sc, V, Zr, and Hf doping on the mechanical properties of TiB₃ under high pressure, Applied Physics A 128 (2022) 305-15.

43. 雷振帅, 孙小伟*, 刘子江, 宋婷, 田俊红, 氮化镓相图预测及其高压熔化特性研究, 物理学报 71 (2022) 198102 -10.

44. 张畅，孙小伟*，宋婷，田俊红，刘子江，Sc、Ti、V、Zr 掺杂Cr₂B₃高压力学性质的第一性原理计算，高压物理学报36 (2022) 042201-12.

45. H.-F. Zhu, X.-W. Sun*, T. Song, X.-D. Wen, X.-X. Liu, J.-S. Feng, Z.-J. Liu, Tunable characteristics of low-frequency bandgaps in two-dimensional multivibrator phononic crystal plates under prestrain, Scientific Reports 11 (2021) 8389-12.

46. G.-G. Xu, X.-W. Sun*, R.-S. Li, Z.-R. Zhang, T. Song, Z.-J. Liu*, The low-frequency bandgap characteristics of a new three-dimensional multihole phononic crystal, Appl. Phys. A 127 (2021) 812-10.  

47. W. Zhao, T. Song, M. Tian*, G.-G. Xu, X.-L. Gao, X.-W. Sun*, Extending and lowering bandgaps by cross-like beams phononic crystals with perforation, Applied Physics A 127 (2021) 490-11.

48. Z.-H. Tan, X.-W. Sun*, M. Tian, H.-F. Zhu, T. Song, X.-D. Wen, X.-X. Liu, Z.-J. Liu, The mechanism of bandgap opening and merging in 2D spherical phononic crystals, Physics Letters A 405 (2021) 127432-8.

49. 谭自豪，孙小伟*，宋婷，温晓东，刘禧萱，刘子江，球形复合柱表面波声子晶体的带隙特性仿真，物理学报70 (2021) 144301-10.

50. 徐琦，孙小伟*，宋婷，温晓东，刘禧萱，王羿文，刘子江，不同缺陷态下具有高光力耦合率的新型一维光力晶体纳米梁，物理学报 70 (2021) 224210 -12.

51. Q. Yang, T. Song*, X.D. Wen, H.F. Zhu, Z.H. Tan, L.J. Liu, Z.J. Liu, X.W. Sun*, Simulations on the wide bandgap characteristics of a two-dimensional tapered scatterer phononic crystal slab at low frequency, Physics Letters A 384 (2020) 126885-6.

52. 康太凤，孙小伟*，宋婷，孙伟彬，廖涛，谭自豪. 二维空心散射体子晶体板的低频带隙特性及其形成机理，声学学报45 (2020) 601-608.

53. 孙伟彬，王婷，孙小伟*，康太凤，谭自豪，刘子江*，新型二维三组元压电声子晶体板的缺陷态及振动能量回收，物理学报68 (2019) 234206-9.

54. 宋婷，孙小伟*，魏小平，欧阳玉花，张春林，郭鹏，赵炜，方镁石高压结构预测和高温结构稳定性研究，物理学报68 (2019) 126201-11.

55. 李伟源, 孙小伟*，宋婷, 田俊红, 万桂新, 刘子江，超硬材料BC₂N的一种新亚稳结构及其高压物性预测，中国科学 49 (2019) 078201-14.

56. 廖涛，孙小伟*，宋婷，田俊红，康太凤，孙伟彬，新型二维压电声子晶体板带隙可调性研究，物理学报67 (2018) 214208-8.

57. N. Bioud, X.W. Sun*, S. Daoud, T. Song*, R. Khenata, S. Bin-Omran, High-temperature and high-pressure physical properties of CuI with zinc-blende phase by a systematic ab initio investigation, Optik 155 (2018) 17-25.

58. N. Bioud, K. Kassali, X.W. Sun*, T. Song, R. Khenata, S. Bin-Omran, High-pressure phase transition and thermodynamic properties from first-principles calculations: Application to cubic copper iodide, Materials Chemistry and Physics 203 (2018) 362-373.

59. F. Chiker, H. Khachai, C. Mathieu, S. Bin-Omran, B. Kada, X.W. Sun*, Sandeep, D.P. Rai, R. Khenata*, Computational investigations of the band structure, and thermodynamic and optical features of thorium-based oxide ThGeO₄ using the full-potential linearized augmented plane-wave plus local orbital approach, Journal of Physics and Chemistry of Solids 116 (2018) 386-392.

60. J.H. Tian*, X.W. Sun*, T. Song, Y.H. Ouyang, T. Wang, G. Jiang, Ferromagnetism and the optical properties of Mn-Doped CdSe with the wurtzite structure, Journal of Superconductivity and Novel Magnetism 30 (2017) 3109-3115.

61. J.H. Tian*, X.W. Sun*, T. Song, R. Khenata, S. Bin-Omran, W.L. Quan, Y.N. Zhao, G. Jiang, Phase transition and high-pressure thermodynamic properties of CdN derived from first-principles and quasi-harmonic Debye model, Computational and Theoretical Chemistry 1120 (2017) 91-95.

62. T. Song, J.H. Tian, Q. Ma*, X.W. Sun*, Z.J. Liu, Electronic structure, phase stability and elastic properties of inverse Heusler compound Mn₂RuSi at high pressure, Journal of Superconductivity and Novel Magnetism 30 (2017) 951-958.

63. T. Song*, Q. Ma, X.W. Sun*, Z.J. Liu*, Z.J. Fu, X.P. Wei, T. Wang, J.H. Tian, Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations, Physics Letters A 380 (2016) 3144-3148.

64. 苏文斐，朱新文，宋婷，孙小伟*，常文利，一维固液声子晶体薄板禁带特性的研究，噪声与振动控制34 (2014) 409.

65. T. Song, X.W. Sun*, Z.J. Liu, J.F. Li, J.H. Tian, Isothermal bulk modulus and its first pressure derivative of NaCl at high pressure and high temperature, Chinese Physics B 21 (2012) 037103-5.

66. T. Song*, X.W. Sun*, Z.J. Liu, B. Kong, W.L. Quan, Z.J. Fu, J.F. Li, J.H. Tian, Thermodynamic properties of magnesium oxide: a comparison of ab initio and empirical models, Physica Scripta 85 (2012) 045702-9.

67. T. Song*, X.W. Sun*, R.F. Wang, H.W. Lu, J.H. Tian, P. Guo, Effects of pressure and temperature on the isothermal bulk modulus of CaO, Physica B 406 (2011) 293-296.

团队论文：

1. Z.-J. Liu*, X.-W. Sun, C.-R. Zhang, S.-J. Zhang, Z.-R. Zhang, N.-Z. Jin, First-principles calculations of high-pressure physical properties anisotropy for magnesite, Scientific Reports 12 (2022) 3691-13.

2. W.L. Quan*, X.W. Sun, Q.F. Chen, Elastic scattering of electron in neutral plasma: Interaction model and plasma environment effects, Physics of Plasmas 27 (2020) 112701-12.

3. X.P. Wei*, X.W. Sun, T. Song, J.H. Tian, P. Guo, Investigations on electronic and magnetic properties along with Martensitic transformation in Ti₂CoGa_1-xCu_x alloy, Acta Physica Polonica A 134 (2018) 519-523.

4. X.P. Wei*, X.W. Sun, T. Song, J.H. Tian, P. Guo, Electronic and magnetic investigations on Fe₂NiTe alloy with high Curie temperature, Journal of Superconductivity and Novel Magnetism 31 (2018) 2797-2803.

5. N. Bioud, X.W. Sun, S. Daoud*, T. Song, Z.J. Liu, Structural stability and thermodynamic properties of BSb under high pressure and temperature, Materials Research Express 5 (2018) 085904-12.

6. N. Bioud, X.W. Sun, N. Bouarissa*, S. Daoud, Elastic constants and related properties of compressed rocksalt CuX (X =Cl, Br): ab initio study, Zeitschrift für Naturforschung A 73 (2018) 767-773.

7. T. Song, X.W. Sun, J.H. Tian, X.P. Wei, G.X. Wan, Q. Ma*, The effect of pressure on the structural, electronic, magnetic, and thermodynamic properties of the Mn₂RuGe inverse Heusler alloy, Journal of Magnetism and Magnetic Materials 428 (2017) 287-292.

8. Z.J. Liu*, X.W. Sun, T. Song, Q. Ma, Y. Guo, Studying the phase transition, thermal expansion, and heat capacity of technetium mononitride by first-principles calculations, Chemical Physics Letters 649 (2016) 64-67.

9. Z.J. Liu*, X.W. Sun, T. Song, Y. Guo, C.R. Zhang, Z.R. Zhang, Atomistic simulation of the structural and elastic properties of magnesite, Bulletin of Materials Science 39 (2016) 1319-1325.

10. Z.J. Fu*, X.W. Sun, W.L. Quan, Ionization and electrical conductivity of dense carbon, Journal of the Korean Physical Society 62 (2013) 447-452. 

11. W.L. Quan*, X.W. Sun, Q. Song, Z.J. Fu, P. Guo, J.H. Tian, J.M. Chen, Molecular dynamics simulation of hydrogenated carbon film growth from CH radicals, Applied Surface Science 263 (2012) 339-344.

12. Z.J. Liu*, X.W. Sun, C.R. Zhang, J.B. Hu, L.C. Cai, Q.F. Chen, High-pressure physical properties of magnesium silicate post-perovskite from ab initio calculations, Bulletin of Materials Science 35 (2012) 665-672.

13. Z.J. Liu*, X.W. Sun, C.R. Zhang, J.B. Hu, T. Song, J.H. Qi, Elastic tensor and thermodynamic property of magnesium silicate perovskite from first-principles calculations, Chinese Journal of Chemical Physics 24 (2011) 703-710.

14. T. Song*, X.W. Sun, P. Guo, J.H. Tian, H.W. Lu, Comparative investigations of the total-energy of NaCl with atomic-level simulations, JP Journal of Solids and Structures 4 (2010) 161-171.

15. Z.J. Liu*, X.W. Sun, C.R. Zhang, L.N. Tian, Y. Guo, Thermodynamic properties of MgSiO₃ post-perovskite, Modern Physics Letters B 24 (2010) 315-324.

16. T. Song, X.W. Sun, Y.X. Liu, Z.J. Liu, Q.F. Chen, C.W. Wang*, Comparative study of the structural and thermodynamic properties of MgO at high pressures and high temperatures, Journal of Alloys and Compounds 461 (2008) 279-284.

17. Z.J. Liu, X.W. Sun, X.M. Tan, Y.D. Guo, X.D. Yang*, Structural and thermodynamic properties of MgSiO₃ perovskite under high pressure and high temperature, Solid State Communications 144 (2007) 264-268.

18. Z.J. Liu, X.W. Sun, S.H. Ge, H.Y. Wu, X.L. Zhang, X.D. Yang*, Thermoelasticity of MgO at high pressures, Chinese Journal of Chemical Physics 20 (2007) 65-70.

19. Z.J. Liu*, X.W. Sun, Q.F. Chen, L.C. Cai, H.Y. Wu, S.H. Ge, First-principles study of the elastic and thermodynamic properties of CaSiO₃ perovskite, Journal of Physics: Condensed Matter 19 (2007) 246103-10.

20. Y.X. Liu, X.W. Sun, T. Song, C.W. Wang*, Simulated equations of state of ZnO with rocksalt phase at high temperature and high pressure, Chinese Journal of Chemical Physics 20 (2007) 161-166.

21. Z.J. Liu, X.W. Sun, X.D. Yang*, X.L. Cheng, Y.D. Guo, Simulation of melting behavior of the MgSiO₃ perovskite under lower mantle conditions, Chinese Journal of Chemical Physics 19 (2006) 311-314.

22. Z.J. Liu*, X.W. Sun, Q.F. Chen, L.C. Cai, X.M. Tan, X.D. Yang, High pressure melting of MgO, Physics Letters A 353 (2006) 221-225.

23. X.P. Wei*, T.Y. Cao, X.W. Sun, Q. Gao, P.F. Gao, Z.L. Gao, X.M. Tao, Structural, electronic, and magnetic properties of quaternary Heusler CrZrCoZ compounds: A first-principles study, Chinese Physics B 29 (2020) 077105-10.

24. X.P. Wei*, S.M. Ma, X.W. Sun, P. Gao, Y.L. Zhang, The tunable Electronic, magnetic and Curie temperature by Co doping Fe_2-xCo_xMnAl alloys, Acta Physica Polonica A 136 (2019) 520-526.

25. N. Lebga, S. Daoud*, X.W. Sun, N. Bioud, A. Latreche, Mechanical and thermophysical properties of cubic rock-salt AlN under high pressure, Journal of Electronic Materials 47 (2018) 3430-3439.

26. X.P. Wei*, Y.L. Zhang, X.W. Sun, T. Song, P. Guo, Y. Gao, J.L. Zhang, X.F. Zhu, J.B. Deng, Exchange interactions and Curie temperatures in Fe₂NiZ compounds, Journal of Alloys and Compounds 694 (2017) 1254-1259.

27. T. Song, Q. Ma*, X.W. Sun, Z.J. Liu, X.P. Wei, J.H. Tian, High-pressure and high-temperature physical properties of half-metallic full-Heusler alloy Mn₂RuSi by first-principles and quasi-harmonic Debye model, Journal of Magnetism and Magnetic Materials 424 (2017) 359-364.

28. Z.J. Liu*, T. Song, X.W. Sun, Q. Ma, T. Wang, Y. Guo, Thermal expansion, heat capacity and Grüneisen parameter of iridium phosphide Ir₂P from quasi-harmonic Debye model, Solid State Communications 253 (2017) 19-23.

29. J.H. Tian, T. Song, X.W. Sun, T. Wang, G. Jiang*, Theoretical investigation on the high-pressure physical properties of ZnN in cubic zinc blende, rock salt, and cesium chloride structures, Journal of Physics and Chemistry of Solids 110 (2017) 70-75.

30. J.H. Tian, T. Song, X.W. Sun, T. Wang, G. Jiang*, First-principles study on the half-metallic ferromagnetism and optical properties of Fe-doped CdSe and Co-doped CdSe, Journal of Superconductivity and Novel Magnetism 30 (2017) 521-528.

31. X.P. Wei*, Y.L. Zhang, X.W. Sun, T. Song, P. Guo, The electronic and magnetic properties of defects on half-metallic Ti₂NiIn alloy, Journal of Solid State Chemistry 233 (2016) 221-228.

32. X.P. Wei*, Y.D. Chu, X.W. Sun, T. Sun, P. Guo, Investigations on the defects of MgN within coherent potential approximation, Physica B 463 (2015) 103-107.

33. X.P. Wei*, Y.D. Chu, X.W. Sun, Y. E, J.B. Deng, Y.Z. Xing, Investigations on the electronic, structural, magnetic properties related to shape-memory behavior in Ti₂CoX (X=Al, Ga, In), Materials Research Bulletin 62 (2015) 212-216.

34. G.X. Wan, S.Y. Ma*, X.W. Sun, A.M. Sun, X.B. Li, J. Luo, W.Q. Li, C.Y. Wang, Synthesis of wrinkled and porous ZnO-SnO₂ hollow nanofibers and their gas sensing properties, Materials Letters 145 (2015) 48-51.

35. X.P. Wei*, Y.D. Chu, X.W. Sun, Y. E, Y.Z. Xing, First-principles study on the (111) surface of half-metallic CsN, Journal of Superconductivity and Novel Magnetism 27 (2014) 1935-1940.

36. X.P. Wei*, Y.D. Chu, X.W. Sun, Y. E, J.B. Deng, Y.Z. Xing, First-principles study on the half-metallicity of CsN alloy (001) surface, Journal of Magnetism and Magnetic Materials 363 (2014) 55-59.

37. X.P. Wei*, Y.D. Chu, X.W. Sun, J.B. Deng, Y.Z. Xing, Stability, electronic, magnetic and pressure effect of half-Heusler alloys CNaCa and SiNaCa: A first-principles study, Superlattices and Microstructures 74 (2014) 70-77.

38. X.P. Wei*, Y.D. Chu, X.W. Sun, J.B. Deng, Y.Z. Xing, Effect of Fe substitution on Ni₂MnGe Heusler alloys: A first principles study, Journal of Superconductivity and Novel Magnetism 27 (2014) 1099-1103.

39. X.P. Wei*, Y.D. Chu, X.W. Sun, Y. E, T. Song, P. Guo, Electronic and magnetic effects on Cu doping Ti₂NiAl Heusler alloy: A first-principles study, Acta Physica Polonica A 126 (2014) 795-797.

40. X.P. Wei*, Y.D. Chu, X.W. Sun, J.B. Deng, First-principles study on stability, electronic and thermodynamic properties of Ti₂CoIn and Ti₂NiIn, The European Physical Journal B 86 (2013) 450-7.

41. B. Kong*, Z.W. Zhou, X.W. Sun, L. Zhang, R.F. Ling-Hu, Structural stabilities and elastic constants of EuX (X = O, S, Se, and Te) compounds at high pressure, Acta Physica Polonica A 123 (2013) 720-727.

42. Z.J. Fu*, L.J. Jia, X.W. Sun, Q.F. Chen, Electrical conductivity of warm dense tungsten, High Energy Density Physics 9 (2013) 781-786.

43. J.H. Tian*, T. Song, X.W. Sun, Z.J. Liu, W.L. Quan, P. Guo, Molecular dynamic study of the melting temperature in MgF₂ with the fluorite structure, Physica B 407 (2012) 551-554.

44. Z.J. Liu*, C.R. Zhang, X.W. Sun, L. Wang, T. Song, J.H. Qi, Structural, electronic and optical properties of the tetragonal phase of CaSiO₃ perovskite under pressure: First-principles calculations, Modern Physics Letters B 25 (2011) 41-52.

45. Z.J. Liu*, C.R. Zhang, X.W. Sun, J.B. Hu, T. Song, Y.D. Chu, The melting curve of MgSiO₃ perovskite from molecular dynamics simulation, Physica Scripta 83 (2011) 045602-5.

46. W.-C. Huang*, K.-X. Zhang, H.-Z. Xing*, X.-W. Sun, Localized field induced room-temperature photoconduction far below bandgap, Infrared Physics & Technology 115 (2021) 103708-9.

47. X.P. Wei*, T.Y. Cao, P.F. Gao, X.W. Sun, Theoretical Prediction of Half-Metallic Properties of CrHfCoZ (Z = Ga, In, Tl, Si) Alloys, Acta Physica Polonica A 138 (2020) 440-446.

48. M. Zenasni, M.E. Amine Monir, H. Baltach, X.W. Sun, D. Varshney*, S. Bin Omran, M. Sehil, R. Khenata*, First-principles investigation on the mechanical and electronic properties of novel Pb_1−xCe_xY alloys (Y=S, Se, and Te): an ab initio study, Materials Research Express 4 (2017) 095903-16.

49. X.P. Wei*, Y.L. Zhang, T. Wang, X.W. Sun, T. Song, P. Guo, J.B. Deng, Stability, electronic and magnetic properties investigations on Zr₂YZ (Y = Co, Cr, V and Z = Al, Ga, In, Pb, Sn, Tl) compounds, Materials Research Bulletin 86 (2017) 139-145.

50. X.P. Wei*, W. Sun, Y.L. Zhang, X.W. Sun, T. Song, T. Wang, J.L. Zhang, H. Su, J.B. Deng, X.F. Zhu, Investigations on electronic, Fermi surface, Curie temperature and optical properties of Zr₂CoAl, Journal of Solid State Chemistry 247 (2017) 97-104.

51. W.L. Quan, Q.F. Chen*, Z.J. Fu, X.W. Sun, J. Zheng, Y.J. Gu, Equations of state, transport properties, and compositions of argon plasma: Combination of self-consistent fluid variation theory and linear response theory, Physical Review E 91 (2015) 023106-11.

52. X.P. Wei*, Y.L. Zhang, Y.D. Chu, X.W. Sun, T. Sun, P. Guo, J.B. Deng, Electronic, magnetic and Fermi properties investigates on quaternary Heusler NiCoCrAl, NiCoCrGa and NiFeCrGa, Journal of Physics and Chemistry of Solids 82 (2015) 28-35.

53. X.P. Wei*, Y.D. Chu, H.W. Lu, X.W. Sun, T. Song, P. Guo, Stability and half-metallicity of the (001) and (111) surfaces of RbN with cesium chloride structure, Journal of Superconductivity and Novel Magnetism 28 (2015) 1577-1582.

54. P. Guo*, G.X. Wan, X.Y. Wang, X.W. Sun, New soliton and periodic solutions for nonlinear wave equation in finite deformation elastic rod, International Journal of Nonlinear Science 15 (2013) 182-192.

55. Z.J. Fu, Q.F. Chen*, X.R. Chen*, X.W. Sun, W.L. Quan, Electrical conductivity and nonmetal-metal transition of dense iron and nickel plasmas, Physica Scripta 85 (2012) 045502-8.

56. Z.J. Liu*, J. Yan, S.Q. Duan, X.W. Sun, C.R. Zhang, Y. Guo, The melting curve of CaSiO₃ perovskite under lower mantle pressures, Solid State Communications 150 (2010) 590-593.

57. Z.J. Liu*, S.Q. Duan, J. Yan, X.W. Sun, C.R. Zhang, Y.D. Chu, Theoretical investigations of the physical properties of tetragonal CaSiO₃ perovskite, Solid State Communications 150 (2010) 943-948.

58. O. Amrich, M.E. Amine Monir, H. Baltach, S. Bin Omran, X.W. Sun, X. Wang, Y. Al-Douri*, A. Bouhemadou, R. Khenata, Half-metallic ferrimagnetic characteristics of Co₂YZ (Z = P, As, Sb, and Bi) new full-Heusler alloys: a DFT study, Journal of Superconductivity and Novel Magnetism 31 (2018) 241-250.

59. F.G. Kuang, X.Y. Kuang*, S.Y. Kang, M.M. Zhong, X.W. Sun, Ab initio study on physical properties of wurtzite, zincblende, and rocksalt structures of zinc oxide using revised functionals, Materials Science in Semiconductor Processing 31 (2015) 700-708.

60. B. Kong*, T.X. Zeng, Z.W. Zhou, D.L. Chen, X.W. Sun, High pressure phase transitions for CdSe, Bulletin of Materials Science 37 (2014) 549-552.

61. Z.R. Zhang, X.L. Cheng*, H.F. Li, Z.J. Liu, X.W. Sun, Calculation and evaluation of energy levels and radiative rates for 2s²2p⁶-2s2p⁶np and 2s²2p⁶-2s²2p⁵nd (4 ≤ n ≤ 20) transitions in Cu XX, Atomic Data and Nuclear Data Tables 98 (2012) 894-909.

62. R. Moussa, A. Abdiche, R. Khenata*, X.T. Wang, D. Varshney*, X.W. Sun, S. Bin Omran, A. Bouhemadou, D.P. Rai, Structural, electronic, optical, thermodynamic and elastic properties of the zinc-blende Al_xIn_1-xN ternary alloys: A first principles calculations, Journal of Physics and Chemistry of Solids 119 (2018) 36-49.

63. Z.J. Fu*, L.J. Jia, J.H. Xia, K. Tang, Z.H. Li, X.W. Sun, Q.F. Chen, Ab initio calculation of structure and thermodynamic properties of zintl aluminide SrAl₂, Zeitschrift für Naturforschung A 70 (2015) 1007-1012.

64. B. Kong, B. Zhu, Y. Cheng*, L. Zhang, Q.X. Zeng, X.W. Sun, Structural, mechanical, thermodynamics properties and phase transition of FeVSb, Physica B 406 (2011) 3003-3010.

65. 王成伟*，王建，李燕，刘维民，徐洮，孙小伟，力虎林，多孔阳极氧化铝薄膜光学常数的确定，物理学报，54 (2005) 0439-6.

66. T. Belfarh, M. Batouche,  T. Seddik*,  G. Uğurb, S. Bin Omran, A. Bouhemadou, Sandeep, X. Wang, X.W. Sun, R. Khenata*, Insight into the optoelectronic and thermoelectric properties of Ca-based Zintl phase CaCd₂X₂ (X = P, As) from first principles calculation, Physica B 538 (2018) 35-46.

 

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（共67篇 更新时间2022年11月14日）

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（共66篇 更新时间2022年11月14日）

1、功能新材料高压物性：主要以超硬材料、半金属材料、铁磁形状记忆合金等作为研究对象，结合第一性原理计算、分子动力学模拟等方法，对材料在高压条件下的结构特征(晶格构型、晶格常数、相位构型等)、物性特性(晶胞总能、电子能态分布、自旋轨道耦合等)、特征性能(掺杂效应、半金属特性、铁磁-反铁磁特性等)、高压热物特性(热力学特性、热稳定性等)、高压相变(晶格畸变、力学稳定性，物性转变等)、材料高压生长特性等进行计算模拟研究。

2、地球下地幔候选矿物高压熔化及热物性：该方向通过考虑地球内部复杂系统的结构特征，利用先进的理论方法及在此方法基础上发展的程序，对地球下地幔主要候选矿物的高压熔化特性进行研究。熔化在地球及类地行星的化学分异中起着重要的作用，获得地球深部物质的高压熔化温度数据，可以推测地球深部物质的粘性和对流，限定深部地热线等有用信息。

3、声光信息科学与技术：围绕声子晶体、光力系统、声光超材料等结构与材料的功能一体化设计，以控制低频宽带噪声、提高光力耦合率、开发光力传感器、声光滤波器、声光二极等高性能声光器件为目标，运用有限元、单色稳态分析等方法，开展带隙特性、耦合特性、负指数特性等超颖特性的创新设计与研究，旨在为减振降噪、声信号处理、超声成像、微纳米光力器件的设计及其实际工程应用提供参考。

4、轨道交通装备材料与应用工程：依托兰州交通大学在轨道交通领域的独特研究优势以及声子晶体和声学超材料良好的声衰减特性，以轨道交通低频减振降噪技术的迫切需求为牵引，运用有限元理论仿真与实验测试相结合的方法，针对新型全频段声屏障、隔振排桩、自反馈式降噪系统、高强度低频隔振浮置板和车体隔声复合板的设计展开创新性研究。

项目名称	多晶氟化镁极端高压下的优选势模型研究及其热物性的可靠性预测
项目性质	国家自然科学基金（国家自然科学基金委）
开始时间	2016-01
结束时间	2019-12
担任角色	主持
项目类别	纵向项目
项目状态	结题

项目名称	ZnO多相高压熔化曲线和状态方程的模拟研究
项目性质	国家自然科学基金（国家自然科学基金委）
开始时间	2012-01
结束时间	2015-12
担任角色	主持
项目类别	纵向项目
项目状态	结题

项目名称	基于声学超材料的轨道交通低频振动与噪声控制关键技术研究及应用示范
项目性质	甘肃省教育科技创新项目
开始时间	2021-08
结束时间	2024-08
担任角色	主持
项目类别	产业支撑计划项目
项目状态	在研

项目名称	贵金属碳化物候选新超硬材料的高压物性研究
项目性质	甘肃省杰出青年基金项目（甘肃省科技厅）
开始时间	2015-01-01
结束时间	2016-12-31
担任角色	主持
项目类别	人才项目
项目状态	结题

 

项目名称	储氢材料氢化锂结构相变的计算机模拟研究
项目性质	甘肃省“陇原青年创新人才扶持计划” （中共甘肃省委组织部）
开始时间	2015-01-01
结束时间	2017-12-31
担任角色	主持
项目类别	人才项目
项目状态	结题

 

项目名称	新型超硬材料高压物性创新人才培养项目
项目性质	甘肃省重点人才项目（中共甘肃省委组织部）
开始时间	2020-01-01
结束时间	2020-12-31
担任角色	主持
项目类别	人才项目
项目状态	结题

项目名称	新型城市轨道交通声子晶体声屏障低频隔声技术研究
项目性质	兰州市科技发展计划项目
开始时间	2021-01
结束时间	2023-12
担任角色	主持
项目类别	院地院企合作专项
项目状态	在研

项目名称	典型半导体材料氧化锌和氮化镓高压物性及熔化相关性研究
项目性质	甘肃省自然科学基金重点项目（甘肃省科技厅）
开始时间	2020-11-01
结束时间	2022-10-31
担任角色	主持
项目类别	纵向项目
项目状态	在研

 

项目名称	矿物质氟镁石高压熔化特性的计算机模拟研究
项目性质	甘肃省自然科学基金（甘肃省科技厅）
开始时间	2011-01-01
结束时间	2012-12-31
担任角色	主持
项目类别	纵向项目
项目状态	结题

 

项目名称	高温高压下矿物质热力学特性的分子动力学研究
项目性质	甘肃省自然科学基金（甘肃省科技厅）
开始时间	2007-01-01
结束时间	2007-12-31
担任角色	主持
项目类别	纵向项目
项目状态	通过鉴定

授权专利：

一种基于RLC串联谐振电路的杨氏模量测量装置（2019）

一种基于电容器电容变化量的杨氏模量测量装置 (2019)

一种自动旋转的智能调平分光计(2020)

 

一种基于RLC串联谐振电路的杨氏模量测量装置（2020）

所属单位：兰州交通大学

发明设计人：孙小伟，孙伟彬，徐港港，李柯育，谭自豪，王婷，刘子江

专利说明：本实用新型涉及物理实验器具技术领域，具体为一种基于RLC串联谐振电路的杨氏模量测量装置，包括有支架、待测金属丝、磁介质、螺旋线管和RLC串联谐振电路，螺旋线管设在底座与横梁之间，待测金属丝一端连接在横梁上，待测金属丝另一端连接有挂钩，挂钩上连接有砝码，待测金属丝中上部连接有磁介质，待测金属丝穿过螺旋线管，磁介质下部位于螺旋线管内，螺旋线管两端与RLC串联谐振电路电性连接，螺旋线管两端与外电路电性连接，构成RLC串联谐振电路；本实用新型利用电学的测量来实现杨氏模量的测量，将传统的金属丝微小形变量转换成电容值、电流值等电学量，本实用新型的测量精度高，操作简便易行，将单纯的力学实验转化为力学与电学相结合的实验，具有更强的综合性，也丰富了杨氏模量的测量方法。

专利类型：实用新型专利

专利状态：已授权

申请号：CN201922090677.X

发明人数：7

是否职务专利：是

申请日期：2019-11-28

公开日期：2020-08-07

授权日期：2020-08-07

 

一种基于电容器电容变化量的杨氏模量测量装置 (2020)

所属单位：兰州交通大学

发明设计人：王婷，孙小伟，刘子江，孙伟彬，谭自豪，李柯育，徐港港

专利说明：本实用新型涉及物理实验器具技术领域，具体为一种基于电容器电容变化量的杨氏模量测量装置，包括有支架、待测金属丝、圆筒形电容器、砝码和RLC串联谐振电路，待测金属丝一端连接在横梁上，待测金属丝另一端连接在圆筒形电容器内筒顶端，圆筒形电容器内筒底端连接有砝码，圆筒形电容器与RLC串联谐振电路电性连接，圆筒电容器与外电路电性连接构成RLC串联谐振电路，本实用新型利用电学的测量来实现杨氏模量的测量，将传统的金属丝微小形变量转换成电容值、电流值等电学量，与传统测量相比，本实用新型的测量精度高，操作简便易行，运用于教学中，将单纯的力学实验转化为力学与电学相结合的实验，具有更强的综合性，也丰富了杨氏模量的测量方法。

专利类型：实用新型专利

专利状态：已授权

申请号：CN201922090676.5

发明人数：7

是否职务专利：是

申请日期：2019-11-28

公开日期：2020-09-22

授权日期：2020-09-22

 

 

一种自动旋转的智能调平分光计(2020)

所属单位：兰州交通大学

发明设计人：田俊红，孙小伟，宋婷，刘子江，王婷，李仁生

专利说明：本实用新型公开了一种自动旋转的智能调平分光计，涉及分光计技术领域。包括第一平行光管和第一望远镜，其中还包括游标盘，游标盘的顶部安装有载物台，游标盘的一侧安装有平行光管支撑臂，平行光管支撑臂的顶部固定有第一平行光管。本实用新型通过第一齿盘、第一齿轮、第一驱动电机、限位球和刚性弹簧，能够实现自动进行调整第一望远镜的位置，进而使得本装置自动旋转，还提高了刻度盘转动的稳定性和精准性，且限位球的安装能够防止刻度盘的晃动,通过水平传感器、控制器、第二驱动电机、锥齿轮、螺纹杆和移动块，能够使得移动块移动出第一支撑块的内部，进而使得本装置能够调节水平，减少测量误差。

专利类型：实用新型专利

专利状态：已受理

申请号：202022519205.4

发明人数：6

是否职务专利：是

申请日期：2020-11-04

成果名称	基于原子尺度的典型金属化合物高压物性的计算机模拟研究
获奖情况	2012年度甘肃省高校科技进步奖一等奖
奖励机构	甘肃省教育厅
获奖成员	孙小伟、褚衍东、宋婷、郭鹏、权伟龙、田俊红
奖励日期	2012年8月

 

成果名称	典型金属化合物高压结构相变及热力学特性的可靠性预测研究
获奖情况	2014年度甘肃省高校科研进步奖一等奖
奖励机构	甘肃省教育厅
获奖成员	孙小伟、宋婷、褚衍东、杜三山、刘子江、魏小平、权伟龙、田俊红
奖励日期	2014年9月

 

成果名称	新型过渡金属化合物超硬材料的高压结构诊断与物性模拟
获奖情况	2016年度甘肃省高等学校科研优秀成果三等奖
奖励机构	甘肃省教育厅
获奖成员	孙小伟、宋婷、刘子江、魏小平、万桂新、杜三山、田俊红、王婷、李慧芳
奖励日期	2016年10月

 

成果名称	流体状态方程自洽变分计算模型及其应用
获奖情况	2010年度军队科技进步二等奖
奖励机构	中国人民解放军总装备部
获奖成员	陈其峰、顾云军、郑君、陈志云、张颖、孙小伟
奖励日期	2010年12月

 

成果名称	Ti基哈斯勒合金的电子磁性以及热力学特性研究
获奖情况	2017年度甘肃省高校科技进步奖二等奖
奖励机构	甘肃省教育厅
获奖成员	魏小平、孙小伟、宋婷、田俊红、王小云
奖励日期	2017年10月

 

成果名称	下地幔主要矿物的熔化、弹性和热力学特性研究
获奖情况	2008年度甘肃省高校科技进步奖二等奖
奖励机构	甘肃省教育厅
获奖成员	刘子江、孙小伟、褚衍东、祁建宏、郭媛、田丽娜
奖励日期	2008年7月