首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Low-temperature phases obtained by linear programming: An application to a lattice system of model chiral molecules
Authors:Igor Medved’  Anton Trník  Dale A Huckaby
Institution:
  • a Department of Physics, Constantine the Philosopher University, 94974 Nitra, Slovakia
  • b Department of Materials Engineering and Chemistry, Czech Technical University, 16629 Prague, Czech Republic
  • c Department of Chemistry, Texas Christian University, Fort Worth, TX 76129, United States
  • Abstract:A convenient, Peierls-type approach to obtain low-temperature phases is to use the method of an m-potential. In this paper we show that, for more complex systems where it may be rather difficult to rewrite the Hamiltonian as an m-potential and whose configurations are subject to linear constraints, the verification of the Peierls condition can be reformulated as a linear programming problem. Before introducing this novel strategy for a general lattice system, we compare it with the m-potential method for a specific model molecular system consisting of an equimolar mixture of a chiral molecule and its non-superimposable mirror image that occupy all the sites of a honeycomb lattice. In one range of interactions, we prove that a racemic low-temperature phase occurs (containing equal numbers of each enantiomer). However, in a neighboring range of interactions, we show that a homochiral low-temperature phase (containing a single enantiomer) exists, and thus chiral segregation occurs in the system. Our linear programming technique yields these results in wider ranges of interactions than the m-potential method.
    Keywords:Low-temperature phases  Ground states  Peierls condition  Chiral molecules
    本文献已被 ScienceDirect 等数据库收录!
    设为首页 | 免责声明 | 关于勤云 | 加入收藏

    Copyright©北京勤云科技发展有限公司  京ICP备09084417号