Lattice dynamics of bismuth tellurohalides

被引：42

作者：

Sklyadneva, I. Yu. ^{[1
,2
,3
,4
]}

Heid, R. ^{[1
]}

Bohnen, K. -P. ^{[1
]}

Chis, V. ^{[2
]}

Volodin, V. A. ^{[5
,6
]}

Kokh, K. A. ^{[7
]}

Tereshchenko, O. E. ^{[5
,6
]}

Echenique, P. M. ^{[2
,8
,9
]}

Chulkov, E. V. ^{[2
,8
,9
]}

机构：

[1] Karlsruher Inst Technol, Inst Festkorperphys, D-76021 Karlsruhe, Germany

[2] Donostia Int Phys Ctr, San Sebastian 20018, Basque Country, Spain

[3] Tomsk State Univ, Tomsk 634050, Russia

[4] Russian Acad Sci, Inst Strength Phys & Mat Sci, Tomsk 634021, Russia

[5] Russian Acad Sci, Inst Semicond Phys, Novosibirsk 630090, Russia

[6] Novosibirsk State Univ, Novosibirsk 636090, Russia

[7] SB RAS, Inst Geol & Mineral, Novosibirsk 630090, Russia

[8] Univ Pais Vasco Euskal Herriko Unibertsitatea, Fac Ciencias Quim, Dept Fis Mat, San Sebastian 20080, Basque Country, Spain

[9] Univ Pais Vasco Euskal Herriko Unibertsitatea, Ctr Mixto, Ctr Phys Mat, Ctr Fis Mat, San Sebastian 20018, Spain

来源：

PHYSICAL REVIEW B | 2012年 / 86卷 / 09期

关键词：

MIXED-BASIS APPROACH; ELECTRONIC-STRUCTURE; OPTICAL-PROPERTIES; BITEI CRYSTALS;

D O I：

10.1103/PhysRevB.86.094302

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Lattice dynamics of two bismuth tellurohalides, BiTeI and BiTeCl, and the influence of spin-orbit coupling on their vibrational properties are investigated using first-principles calculations in the density functional perturbation formalism. We also report on the Raman study of these bismuth tellurohalides as well as BiTeBr. It is shown that the inclusion of spin-orbit interaction results in a sizable softening of the phonon spectra of BiTeI and BiTeCl. For both compounds a strong anisotropy in the dielectric tensor and in the Born effective charges is found. Predicted Raman active mode frequencies in BiTeI and BiTeCl are in good agreement with the experimental Raman data.

引用

页数：8

共 50 条

[1] Theoretical prediction of the fundamental properties of ternary bismuth tellurohalides
Zhou, Shiyi
Long, Jianping
Huang, Wen
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2014, 27 : 605 - 610
[2] Pressure effects on crystal and electronic structure of bismuth tellurohalides
Rusinov, I. P.
Menshchikova, T. V.
Sklyadneva, I. Yu
Heid, R.
Bohnen, K-P
Chulkov, E. V.
NEW JOURNAL OF PHYSICS, 2016, 18
[3] Temperature dependence of the bulk Rashba splitting in the bismuth tellurohalides
Monserrat, Bartomeu
Vanderbilt, David
PHYSICAL REVIEW MATERIALS, 2017, 1 (05):
[4] Ab initio electronic structure and optical conductivity of bismuth tellurohalides
Schwalbe, Sebastian
Wirnata, Rene
Starke, Ronald
Schober, Giulio A. H.
Kortus, Jens
PHYSICAL REVIEW B, 2016, 94 (20)
[5] Negative piezoelectric response of van der Waals layered bismuth tellurohalides
Kim, Jinwoong
Rabe, Karin M.
Vanderbilt, David
PHYSICAL REVIEW B, 2019, 100 (10)
[6] Ultrafast Dynamics of Electrons and Crystal Lattice in Bismuth Selenide
Melnikov A.A.
Chekalin S.V.
Ryabov E.A.
Bulletin of the Russian Academy of Sciences: Physics, 2018, 82 (12) : 1502 - 1505
[7] Structure, lattice dynamics, properties of bismuth titanate heterostructures
Mukhortov, V. M.
Golovko, Yu, I
Anokhin, A. S.
Stryukov, D., V
Biryukov, S., V
Timoshenko, P. E.
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2020, 53 (03)
[8] Lattice dynamics study of bismuth III-V compounds
Belabbes, A.
Zaoui, A.
Ferhat, M.
JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (41)
[9] Lattice Dynamics Study of Elemental Bismuth under High Pressure
Zhao, Yixuan
Clement, Sebastien
Haines, Julien
Viennois, Romain
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (49): : 26659 - 26669
[10] Many-body effects on the Rashba-type spin splitting in bulk bismuth tellurohalides
Rusinov, I. P.
Nechaev, I. A.
Eremeev, S. V.
Friedrich, C.
Bluegel, S.
Chulkov, E. V.
PHYSICAL REVIEW B, 2013, 87 (20)

← 1 2 3 4 5 →