PRESSURE-INDUCED

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相关机构：中国科学院大学中国科学院东南大学中国科学技术大学更多>>
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Prediction of Pressure-Induced Structural Transition and Mechanical Properties of Mg Y from First-Principles Calculations
《Communications in Theoretical Physics》2016年第1期92-98,共7页濮春英 荀显超 宋海珍 张飞武 卢志文 周大伟 
Supported by the Henan Joint Funds of the National Natural Science Foundation of China under Grant Nos.U1304612,U1404608;the National Natural Science Foundation of China under Grant Nos.51501093,51374132;the Special Fund of the Theoretical Physics of China under Grant No.11247222;Postdoctoral Science Foundation of China under Grant No.2015M581767;Young Core Instructor Foundation of Henan Province under Grant No.2015GGJS-122
Using the particle swarm optimization algorithm on crystal structure prediction,we first predict that Mg Y alloy undergoes a first-order phase transition from Cs Cl phase to P4/NMM phase at about 55 GPa with a small v...
关键词：high pressure phase transition first-principles calculations mechanical properties 
Improved Ligand-Field Theoretical Calculation of R-Line Pressure-Induced Shift of MgO:V^(2+)
《Communications in Theoretical Physics》2008年第9期781-786,共6页ZHANG Zheng-Jie MA Dong-Ping 
By means of an improved ligand-field theory, the ＂pure electronic＂ PS and the PS due to EPI of R line of MgO： V^2＋ have been calculated, respectively. The calculated results are in very good agreement with the exp...
关键词：high-pressure effect electron-phonon interaction R line improved ligand-field theory the admix-ture of ｜t2^2（^3T1）e^4T2〉 and ｜t2^3 2E〉 
Pressure-Induced Shift of R-Line of MgO：Cr^3＋ with Electron-Phonon Interaction Effect
《Communications in Theoretical Physics》2007年第2X期357-362,共6页ZHANG Zheng-Jie MA Dong-Ping 
By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The ca...
关键词：high-pressure effect electron-phonon interaction R-line improved ligand-field theory admixture of ｜t2^2（3T1）e^4T2） and ｜t2^32E） 
Energy Spectrum of La3Lu2Ga3O12：Cr^3＋ and Its Pressure-Induced R-Line-Shift Reversal
《Communications in Theoretical Physics》2005年第6X期1103-1114,共12页MA Dong-Ping CHEN Ju-Rong 
By means of both the theory for pressure-induced Shifts （PS） of energy spectra and the theory for shifts of energy spectra due to electron-phonon interaction （EPI）, the normal-pressure energy spectra of α and β ...
关键词：pressure-induced reversal of Rl-line shift low high crystal-field transition electron-phonon interaction mixing of base-wavefunctions 
Pressure Effects on Spectra of Tunable Laser Crystal GSGG:Cr3+ III: Pressure-Induced Shift of R1 Line at 70 K
《Communications in Theoretical Physics》2003年第4期493-500,共8页MADong－Ping ZHANGJi－Ping 
By means of both a theory for pressure-induced shifts (PS) of energy spectra and a theory for shifts of energy spectra due to electron-phonon interaction (EPI), the 'pure electronic' PS and the PS due to EPI of R...
关键词：high-pressure effect spin-orbit interaction electron-phonon interaction d orbital coupling between t(2)(2)(T-3(1))e(4)T(2) and t(2)(3)(2)E tunable laser crystal 
Energy Spectra, g Factors and Their Pressure-Induced and/or Thermal Shifts of SrTiO_(3):Cr3+ and SrTiO_(3):Mn4+ IV: R-Line Thermal Shifts of SrTiO_(3):Cr3+
《Communications in Theoretical Physics》2001年第11期601-610,共10页MA Dong-Ping ZHANG Ji-Ping 
Energy Spectra, g Factors and Their Pressure-Induced and/or Thermal Shifts of SrTiO3:Cr3+ and SrTiO3:Mn4+ Ⅲ: R-Line Thermal Shifts of SrTiO3:Mn4+
《Communications in Theoretical Physics》2001年第10期463-468,共6页MA Dong-Ping ZHANG Ji-Ping 
By taking into account all the irreducible representations and their components in the electron-phonon interaction (EPI) as well as all the levels and the admixtures of basic wavefunctions within d3 electronic configu...
关键词：crystal fields  optical properties  ELECTRON-PHONON interaction  THERMAL shift  softening of acoustic modes 
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