典型文献
Pressure-induced phase transition in transition metal trifluorides
文献摘要：
As a fundamental thermodynamic variable,pressure can alter the bonding patterns and drive phase transitions leading to the creation of new high-pressure phases with exotic properties that are inaccessible at ambient pressure.Using the swarm intelligence structural prediction method,the phase transition of TiF3,from R-3c to the Pnma phase,was predicted at high pressure,accompanied by the destruction of TiF6 octahedra and formation of TiF8 square antiprismatic units.The Pnma phase of TiF3,formed using the laser-heated diamond-anvil-cell technique was confirmed via high-pressure x-ray diffraction experiments.Furthermore,the in situ electrical measurements indicate that the newly found Pnma phase has a semiconducting character,which is also consistent with the electronic band structure calculations.Finally,it was shown that this pressure-induced phase transition is a general phenomenon in ScF3,VF3,CrF3,and MnF3,offering valuable insights into the high-pressure phases of transition metal trifluorides.
文献关键词：
中图分类号：
作者姓名：
Peng Liu;Meiling Xu;Jian Lv;Pengyue Gao;Chengxi Huang;Yinwei Li;Jianyun Wang;Yanchao Wang;Mi Zhou
作者机构：
State Key Laboratory of Superhard Materials&International Center for Computational Method and Software,College of Physics,Jilin University,Changchun 130012,China;Laboratory of Quantum Functional Materials Design and Application,School of Physics and Electronic Engineering,Jiangsu Normal University,Xuzhou 221116,China;MIIT Key Laboratory of Semiconductor Microstructure and Quantum Sensing,Nanjing University of Science and Technology,Nanjing 210094,China
文献出处：
引用格式：
[1]Peng Liu;Meiling Xu;Jian Lv;Pengyue Gao;Chengxi Huang;Yinwei Li;Jianyun Wang;Yanchao Wang;Mi Zhou-.Pressure-induced phase transition in transition metal trifluorides)[J].中国物理B（英文版）,2022(10):112-116
A类：
trifluorides,TiF8,antiprismatic,VF3,CrF3,MnF3
B类：
Pressure,induced,metal,fundamental,thermodynamic,variable,pressure,can,alter,bonding,patterns,drive,transitions,leading,creation,high,phases,exotic,properties,that,inaccessible,ambient,Using,swarm,intelligence,structural,prediction,method,TiF3,from,3c,Pnma,was,predicted,accompanied,by,destruction,TiF6,octahedra,formation,square,units,formed,using,laser,heated,diamond,anvil,cell,technique,confirmed,via,ray,diffraction,experiments,Furthermore,situ,electrical,measurements,indicate,newly,found,semiconducting,character,which,also,consistent,electronic,band,structure,calculations,Finally,shown,this,general,phenomenon,ScF3,offering,valuable,insights,into
AB值：
0.579115
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