搜索

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

单轴压力下Ge2X2Te5(X=Sb, Bi)薄膜拓扑相变的第一性原理研究

张梅 文黎巍 丁俊 张英

引用本文:
Citation:

单轴压力下Ge2X2Te5(X=Sb, Bi)薄膜拓扑相变的第一性原理研究

张梅, 文黎巍, 丁俊, 张英

First-principles study on the uniaxial pressure induced topological quantum phase transitions of Ge2X2Te5 (X =Sb, Bi) thin films

Zhang Mei, Wen Li-Wei, Ding Jun, Zhang Ying
PDF
导出引用
  • 随着拓扑绝缘体的发现, 材料拓扑物性的研究成为凝聚态物理研究的热点领域. 本文基于第一性原理计算, 研究了化合物Ge2X2Te5 (X=Sb, Bi) 的块体结构和二维单层和双层薄膜结构的拓扑物性, 以及单双层薄膜在垂直方向单轴压力下的拓扑量子相变. 研究发现, A型原子序列排列的这两种化合物都是拓扑绝缘体, 其单层薄膜都是普通金属, 而双层薄膜都是拓扑金属, 单层和双层薄膜在单轴加压过程中都没有发生拓扑量子相变; 这两种化合物的B型原子序列的晶体是普通绝缘体, 其所对应的薄膜, Ge2Sb2Te5单层是普通金属, 双层薄膜和Ge2Bi2Te5的单层和双层薄膜均为普通绝缘体, 但是在单轴加压过程中B 型原子序列所对应的单层和双层薄膜都转变为拓扑金属.
    Since the topological insulator was discovered, the investigation of topological properties has become the hot spot in condensed matter physics. In this paper, we study topological properties of chalcogenide compounds Ge2X2Te5 (X=Sb, Bi) crystals and their monolayer and bilayer films as well as the vertical uniaxial pressure induced topological quantum phase transitions in monolayer and bilayer films. The results show that for A-type crystal, the bulk structures of these two compounds are topological insulators, the monolayer structures of these two compounds are conventional metals, and bilayer structures are topological metals. There is no topological quantum phase transition in monolayer nor bilayer film under the uniaxial compression. While for B-type crystal, the bulk structures of these two compounds are conventional insulators, the monolayer Ge2Sb2Te5 is conventional metal, its bilayer structure as well as monolayer and bilayer of Ge2Bi2Te5 films is conventional insulator. All the B-type monolayer and bilayer films each undergo a topological quantum phase transition to the topological metals under the uniaxial compression.
    • 基金项目: 国家自然科学基金(批准号: 11135001)、国家自然科学基金专项基金(批准号: 11347187) 和河南省科技攻关计划(批准号: 132102210141)资助的课题.
    • Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11135001), the Special Funds of the National Natural Science Foundation of China (Grant No. 11347187), and the Key Science and Technology Program of Henan Province, China (Grant No. 132102210141).
    [1]

    Zhang H J, Liu C X, Qi X L, Dai X, Fang Z, Zhang S C 2009 Nature Phys. 5 438

    [2]

    Feng W X, Xiao D, Ding J, Yao Y G 2011 Phys. Rev. Lett. 106 016402

    [3]

    Weng H M, Xu G, Zhang H J, Zhang S C, Dai X, Fang Z 2011 Phys. Rev. B 84 060408

    [4]

    Xu G, Weng H M, Wang Z J, Dai X, Fang Z 2011 Phys. Rev. Lett. 107 186806

    [5]

    Marcinkova A, Wang J K, Slavonic C, Andriy H N, Kelly K F, Filinchuk Y, Morosan E 2013 Phys. Rev. B 88 165128

    [6]

    Kane C L, Mele E J 2005 Phys. Rev. Lett. 95 146802

    [7]

    Fu L, Kane C L 2007 Phys. Rev. B 76 045302

    [8]

    Kim J, Kim J, Jhi S H 2010 Phys. Rev. B 82 201312(R)

    [9]

    Sa B S, Zhou J, Song Z, Sun Z, Ahuja R 2011 Phys. Rev. B 84 085130

    [10]

    Sun Z, Zhou J, Pana Y, Songc Z, Maod H K, Ahuja R 2011 Proc. Natl. Acad. Sci. U.S.A. 108 10410

    [11]

    Lai Y F, Feng J, Qiao B W, Ling Y, Lin Y Y, Tang T A, Cai B C, Chen B M 2006 Acta Phys. Sin. 55 4347 (in Chinese) [赖云峰, 冯洁, 乔保卫, 凌云, 林殷茵, 汤庭鳌, 蔡炳初, 陈邦明 2006 物理学报 55 4347]

    [12]

    Liao Y B, Xu L, Yang F, Liu W Q, Liu D, Xu J, Ma Z Y, Chen K J 2010 Acta Phys. Sin. 59 6563 (in Chinese) [廖远宝, 徐岭, 杨菲, 刘文强, 刘东, 徐骏, 马忠元, 陈坤基 2010 物理学报 59 6563]

    [13]

    Pirovano A 2004 IEEE Trans. Electron Dev. 51 3

    [14]

    Juarez L F, Da S, Aron W, Lee H 2008 Phys. Rev. B 78 224111

    [15]

    Kaewmaraya T, Ramzan M, Löfås H, Ahuja R 2013 J. Appl. Phys. 113 033510

    [16]

    Sa B S, Zhou J, Sun Z M, Tominaga J, Ahuja R 2012 Phys. Rev. Lett. 109 096802

    [17]

    Park J H, Eom S H, Lee H 2009 Phys. Rev. B 80 115209

    [18]

    Kim K H, Kyoung Y K, Yun D J, Choi S J 2013 Thin Solid Films 548 40

    [19]

    Sa B S, Zhou J, Ahuja R, Sun Z 2014 Computat. Mater. Sci. 82 66

    [20]

    Kresse G, Hafner J 1993 Phys. Rev. B 47 558

    [21]

    Kresse G, Furthmuller J 1996 J. Comput. Mater. Sci. 6 15

    [22]

    Grimme S 2006 J. Comput. Chem. 27 1787

    [23]

    Petrov I I, Immov R M, Pinker Z G 1968 Sov. Phys. Crystallogr. 13 339

    [24]

    Kooi B J, de Hossona J Th M 2002 J. Appl. Phys. 92 3584

    [25]

    Sun Z M, Zhou J, Ahuja R 2006 Phys. Rev. Lett. 96 055507

    [26]

    Lee G, Jhi S H 2008 Phys. Rev. B 77 153201

    [27]

    Kooi B J, de Hossona J Th M 2002 J. Appl. Phys. 92 3584

    [28]

    Matsunaga T, Kojima R, Yamada N, Kifune K, Kubota Y, Takata M 2007 Acta Cryst. B63 346

    [29]

    Yu R, Zhang W, Weng H M, Dai X, Fang Z 2011 Physics 40 7 (in Chinese) [余睿, 张薇, 翁红明, 戴希, 方忠 2011 物理 40 7]

    [30]

    Li W, Wei X Y, Zhu J X, Ting C S, Chen Y 2014 Phys. Rev. B 89 035101

    [31]

    Zhu Z Y, Cheng Y, Schwingenschlögl U 2012 Phys. Rev. Lett. 108 266805

    [32]

    Zhang Q Y, Cheng Y, Schwingenschlögl U 2013 Phys. Rev. B 88 155317

    [33]

    Singh B, Lin H, Prasad R, Bansil A 2013 Phys. Rev. B 88 195147

  • [1]

    Zhang H J, Liu C X, Qi X L, Dai X, Fang Z, Zhang S C 2009 Nature Phys. 5 438

    [2]

    Feng W X, Xiao D, Ding J, Yao Y G 2011 Phys. Rev. Lett. 106 016402

    [3]

    Weng H M, Xu G, Zhang H J, Zhang S C, Dai X, Fang Z 2011 Phys. Rev. B 84 060408

    [4]

    Xu G, Weng H M, Wang Z J, Dai X, Fang Z 2011 Phys. Rev. Lett. 107 186806

    [5]

    Marcinkova A, Wang J K, Slavonic C, Andriy H N, Kelly K F, Filinchuk Y, Morosan E 2013 Phys. Rev. B 88 165128

    [6]

    Kane C L, Mele E J 2005 Phys. Rev. Lett. 95 146802

    [7]

    Fu L, Kane C L 2007 Phys. Rev. B 76 045302

    [8]

    Kim J, Kim J, Jhi S H 2010 Phys. Rev. B 82 201312(R)

    [9]

    Sa B S, Zhou J, Song Z, Sun Z, Ahuja R 2011 Phys. Rev. B 84 085130

    [10]

    Sun Z, Zhou J, Pana Y, Songc Z, Maod H K, Ahuja R 2011 Proc. Natl. Acad. Sci. U.S.A. 108 10410

    [11]

    Lai Y F, Feng J, Qiao B W, Ling Y, Lin Y Y, Tang T A, Cai B C, Chen B M 2006 Acta Phys. Sin. 55 4347 (in Chinese) [赖云峰, 冯洁, 乔保卫, 凌云, 林殷茵, 汤庭鳌, 蔡炳初, 陈邦明 2006 物理学报 55 4347]

    [12]

    Liao Y B, Xu L, Yang F, Liu W Q, Liu D, Xu J, Ma Z Y, Chen K J 2010 Acta Phys. Sin. 59 6563 (in Chinese) [廖远宝, 徐岭, 杨菲, 刘文强, 刘东, 徐骏, 马忠元, 陈坤基 2010 物理学报 59 6563]

    [13]

    Pirovano A 2004 IEEE Trans. Electron Dev. 51 3

    [14]

    Juarez L F, Da S, Aron W, Lee H 2008 Phys. Rev. B 78 224111

    [15]

    Kaewmaraya T, Ramzan M, Löfås H, Ahuja R 2013 J. Appl. Phys. 113 033510

    [16]

    Sa B S, Zhou J, Sun Z M, Tominaga J, Ahuja R 2012 Phys. Rev. Lett. 109 096802

    [17]

    Park J H, Eom S H, Lee H 2009 Phys. Rev. B 80 115209

    [18]

    Kim K H, Kyoung Y K, Yun D J, Choi S J 2013 Thin Solid Films 548 40

    [19]

    Sa B S, Zhou J, Ahuja R, Sun Z 2014 Computat. Mater. Sci. 82 66

    [20]

    Kresse G, Hafner J 1993 Phys. Rev. B 47 558

    [21]

    Kresse G, Furthmuller J 1996 J. Comput. Mater. Sci. 6 15

    [22]

    Grimme S 2006 J. Comput. Chem. 27 1787

    [23]

    Petrov I I, Immov R M, Pinker Z G 1968 Sov. Phys. Crystallogr. 13 339

    [24]

    Kooi B J, de Hossona J Th M 2002 J. Appl. Phys. 92 3584

    [25]

    Sun Z M, Zhou J, Ahuja R 2006 Phys. Rev. Lett. 96 055507

    [26]

    Lee G, Jhi S H 2008 Phys. Rev. B 77 153201

    [27]

    Kooi B J, de Hossona J Th M 2002 J. Appl. Phys. 92 3584

    [28]

    Matsunaga T, Kojima R, Yamada N, Kifune K, Kubota Y, Takata M 2007 Acta Cryst. B63 346

    [29]

    Yu R, Zhang W, Weng H M, Dai X, Fang Z 2011 Physics 40 7 (in Chinese) [余睿, 张薇, 翁红明, 戴希, 方忠 2011 物理 40 7]

    [30]

    Li W, Wei X Y, Zhu J X, Ting C S, Chen Y 2014 Phys. Rev. B 89 035101

    [31]

    Zhu Z Y, Cheng Y, Schwingenschlögl U 2012 Phys. Rev. Lett. 108 266805

    [32]

    Zhang Q Y, Cheng Y, Schwingenschlögl U 2013 Phys. Rev. B 88 155317

    [33]

    Singh B, Lin H, Prasad R, Bansil A 2013 Phys. Rev. B 88 195147

  • [1] 李锦芳, 何东山, 王一平. 一维耦合腔晶格中磁子-光子拓扑相变和拓扑量子态的调制. 物理学报, 2024, 73(4): 044203. doi: 10.7498/aps.73.20231519
    [2] 初纯光, 王安琦, 廖志敏. 拓扑半金属-超导体异质结的约瑟夫森效应. 物理学报, 2023, 72(8): 087401. doi: 10.7498/aps.72.20230397
    [3] 郑智勇, 陈立杰, 向吕, 王鹤, 王一平. 一维超导微波腔晶格中反旋波效应对拓扑相变和拓扑量子态的调制. 物理学报, 2023, 72(24): 244204. doi: 10.7498/aps.72.20231321
    [4] 王欢, 何春娟, 徐升, 王义炎, 曾祥雨, 林浚发, 王小艳, 巩静, 马小平, 韩坤, 王乙婷, 夏天龙. 拓扑半金属及磁性拓扑材料的单晶生长. 物理学报, 2023, 72(3): 038103. doi: 10.7498/aps.72.20221574
    [5] 王伟, 王一平. 一维超导传输线腔晶格中的拓扑相变和拓扑量子态的调制. 物理学报, 2022, 71(19): 194203. doi: 10.7498/aps.71.20220675
    [6] 强晓斌, 卢海舟. 磁场中拓扑物态的量子输运. 物理学报, 2021, 70(2): 027201. doi: 10.7498/aps.70.20200914
    [7] 姜聪颖, 孙飞, 冯子力, 刘世炳, 石友国, 赵继民. 三重简并拓扑半金属磷化钼的时间分辨超快动力学. 物理学报, 2020, 69(7): 077801. doi: 10.7498/aps.69.20191816
    [8] 陈爱民, 刘东昌, 段佳, 王洪雷, 相春环, 苏耀恒. 含有Dzyaloshinskii-Moriya相互作用的自旋1键交替海森伯模型的量子相变和拓扑序标度. 物理学报, 2020, 69(9): 090302. doi: 10.7498/aps.69.20191773
    [9] 方云团, 王张鑫, 范尔盼, 李小雪, 王洪金. 基于结构反转二维光子晶体的拓扑相变及拓扑边界态的构建. 物理学报, 2020, 69(18): 184101. doi: 10.7498/aps.69.20200415
    [10] 强晓斌, 卢海舟. 磁场中拓扑物态的量子输运. 物理学报, 2020, (): . doi: 10.7498/aps.69.20200914
    [11] 武璟楠, 徐志浩, 陆展鹏, 张云波. 一维化学势调制的p波超导体中的拓扑量子相变. 物理学报, 2020, 69(7): 070302. doi: 10.7498/aps.69.20191868
    [12] 韦博元, 步海军, 张帅, 宋凤麒. 拓扑半金属ZrSiSe器件中面内霍尔效应的观测. 物理学报, 2019, 68(22): 227203. doi: 10.7498/aps.68.20191501
    [13] 邓韬, 杨海峰, 张敬, 李一苇, 杨乐仙, 柳仲楷, 陈宇林. 拓扑半金属材料角分辨光电子能谱研究进展. 物理学报, 2019, 68(22): 227102. doi: 10.7498/aps.68.20191544
    [14] 王珊珊, 吴维康, 杨声远. 拓扑节线与节面金属的研究进展. 物理学报, 2019, 68(22): 227101. doi: 10.7498/aps.68.20191538
    [15] 许兵, 邱子阳, 杨润, 戴耀民, 邱祥冈. 拓扑半金属的红外光谱研究. 物理学报, 2019, 68(22): 227804. doi: 10.7498/aps.68.20191510
    [16] 孟康康, 赵旭鹏, 苗君, 徐晓光, 赵建华, 姜勇. 铁磁/非磁金属异质结中的拓扑霍尔效应. 物理学报, 2018, 67(13): 131202. doi: 10.7498/aps.67.20180369
    [17] 喻祥敏, 谭新生, 于海峰, 于扬. 利用超导量子电路模拟拓扑量子材料. 物理学报, 2018, 67(22): 220302. doi: 10.7498/aps.67.20181857
    [18] 伊长江, 王乐, 冯子力, 杨萌, 闫大禹, 王翠香, 石友国. 拓扑半金属材料的单晶生长研究进展. 物理学报, 2018, 67(12): 128102. doi: 10.7498/aps.67.20180796
    [19] 陈西浩, 王秀娟. 一维扩展量子罗盘模型的拓扑序和量子相变. 物理学报, 2018, 67(19): 190301. doi: 10.7498/aps.67.20180855
    [20] 沈清玮, 徐林, 蒋建华. 圆环结构磁光光子晶体中的拓扑相变. 物理学报, 2017, 66(22): 224102. doi: 10.7498/aps.66.224102
计量
  • 文章访问数:  4791
  • PDF下载量:  375
  • 被引次数: 0
出版历程
  • 收稿日期:  2014-10-09
  • 修回日期:  2014-12-15
  • 刊出日期:  2015-05-05

/

返回文章
返回