BiTeI Kristalinde Spin-Yörünge Yarılmasının Gerinim ile Değişimi
Year 2019,
Volume: 8 Issue: 1, 19 - 25, 12.03.2019
Sümeyra Güler Kılıç
,
Çetin Kılıç
Abstract
BiTeI kristalinin elektronik bant yapısında, güçlü spin-yörünge
etkileşmesi Rashba tipi spin ayrışmasına yol açmaktadır. Bu nedenle, dar bant
aralıklı bir yarıiletken olan BiTeI potansiyel bir spintronik malzeme olarak ilgi
çekmektedir. Bu makalede, BiTeI’deki Rashba tipi spin yarılmaların gerinim ile
nasıl değiştiği incelenmiştir. Bu amaçla, yoğunluk fonksiyonel teorisi
çerçevesinde kristal yapısı optimizasyonları ve bant yapısı hesaplamaları gerçekleştirilmiştir.
Bu hesaplamaların sonuçları, BiTeI’deki Rashba tipi spin yarılmasının gerinim
ile kontrol edilebileceğini göstermektedir. Bu, BiTeI kristalinde gerinimin
spin-yörünge etkileşimini arttırdığı (kristal sıkıştırıldığında) ya da azalttığı
(kristal genleştiğinde) bulgusu ile açıklanmıştır.
References
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Year 2019,
Volume: 8 Issue: 1, 19 - 25, 12.03.2019
Sümeyra Güler Kılıç
,
Çetin Kılıç
References
- Ishizaka K., Bahramy M. S., Murakawa H., Sakano M., Shimojima T., Sonobe T., Koizumi K., Shin S., Miyahara H., Kimura A., Miyamoto K., Okuda T., Namatame H., Taniguchi M., Arita R., Nagaosa N., Kobayashi K., Murakami Y., Kumai R., Kaneko Y., Onose Y., Tokura Y. 2011. Giant Rashba-type Spin Splitting in Bulk BiTeI, Nature Mater., 10, 521.
- Hoffmann A., Bader S. D. 2015. Opportunities at the Frontiers of Spintronics, Phys. Rev. Applied, 4, 047001.
- Silsbee R. H. 2004. Spin–Orbit Induced Coupling of Charge Current and Spin Polarization, J. Phys.: Condens. Matter 16, R179.
- Bahramy M. S., Yang B.-J., Arita R., Nagaosa N. 2012. Emergence of Non-Centrosymmetric Topological Insulating Phase in BiTeI under Pressure, Nature Commun., 3, 679.
- Xi X., Ma C., Liu Z., Chen Z., Ku W., Berger H., Martin C., Tanner D. B., Carr G. L. 2013. Signatures of a Pressure-Induced Topological Quantum Phase Transition in BiTeI, Phys. Rev. Lett., 11, 155701.
- Tran M. K., Levallois J., Lerch P., Teyssier J., Kuzmenko A. B., Autès G., Yazyev O. V., Ubaldini A., Giannini E., van der Marel D., Akrap A. 2014. Infrared- and Raman-Spectroscopy Measurements of a Transition in the Crystal Structure and a Closing of the Energy Gap of BiTeI under Pressure, Phys. Rev. Lett., 112, 047402.
- Liu J., Vanderbilt D. 2014. Weyl Semimetals from Noncentrosymmetric Topological Insulators, Phys. Rev. B, 90, 155316.
- Ideue T., Checkelsky J. G., Bahramy M. S., Murakawa H., Kaneko Y., Nagaosa N., Tokura Y. 2014. Pressure Variation of Rashba Spin Splitting Toward Topological Transition in the Polar Semiconductor BiTeI, Phys. Rev. B, 90, 161107.
- Park J., Jin K.-H., Jo Y. J., Choi E. S., Kang W., Kampert E., Rhyee J.-S., Jhi S.-H., Kim J. S. 2015. Quantum Oscillation Signatures of Pressure-induced Topological Phase Transition in BiTeI, Sci. Rep., 5, 15973.
- Güler-Kılıç S., Kılıç Ç. 2016. Pressure Dependence of the Band-Gap Energy in BiTeI, Phys. Rev. B, 94, 165203.
- Kulbachinskii V. A., Kytin V. G., Lavrukhina Z. V., Kuznetsov A. N., Shevelkov A. V. 2010. Galvanomagnetic and Thermoelectric Properties of BiTeBr and BiTeI Single Crystals and their Electronic Structure, Semiconductors, 44, 1548.
- Wu L., Yang J., Chi M., Wang S., Wei P., Zhang W., Chen L., Yang J. 2015. Enhanced Thermoelectric Performance in Cu-Intercalated BiTeI by Compensation Weakening Induced Mobility Improvement, Sci. Rep., 5, 14319.
- Wu L., Yang J., Zhang T., Wang S., Wei P., Zhang W., Chen L., Yang J. 2016. Enhanced Thermoelectric Performance in the Rashba Semiconductor BiTeI Through Band Gap Engineering, J. Phys.: Condens. Matter, 28, 8.
- Bychkov Y. A., Rashba E. I. 1984. Properties of a 2D Electron Gas with Lifted Spectral Degeneracy, JETP Lett. 39, 78.
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- Sakano M., Miyawaki J., Chainani A., Takata Y., Sonobe T., Shimojima T., Oura M., Shin S., Bahramy M. S., Arita R., Nagaosa N., Murakawa H., Kaneko Y., Tokura Y., Ishizaka K. 2012. Three-Dimensional Bulk Band Dispersion in Polar BiTeI with Giant Rashba-Type Spin Splitting, Phys. Rev. B 86, 085204.
- Kanou M., Sasagawa T. 2013. Crystal Growth and Electronic Properties of a 3D Rashba Material, BiTeI, with Adjusted Carrier Concentrations, J. Phys.: Condensed Matter, 25, 13.
- Bahramy M. S., Arita R., Nagaosa N. 2011. Origin of Giant Bulk Rashba Splitting: Application to BiTeI, Phys. Rev. B, 84, 041202.
- Fu H. 2013. Tunability of Giant Rashba Spin Splitting in BiTeI, Phys. Rev. B, 87, 075139.
- Rusinov I. P., Nechaev I. A., Eremeev S. V., Friedrich C., Blügel S., Chulkov E. V. 2013. Many-Body Effects on the Rashba-Type Spin Splitting in Bulk Bismuth Tellurohalides, Phys. Rev. B, 87, 205103.
- Zhu Z., Cheng Y., Schwingenschlögl U. 2013. Orbital-Dependent Rashba Coupling in Bulk BiTeCl and BiTeI, New J. Phys., 15, 023010.
- Güler-Kılıç S., Kılıç Ç. 2015. Crystal and Electronic Structure of BiTeI, AuTeI, and PdTeI Compounds: A Dispersion-Corrected Density-Functional Study, Phys. Rev. B 91, 245204.
- Schwalbe S., Wirnata R., Starke R., Schober G. A. H., Kortus J. 2016. Ab Initio Electronic Structure and Optical Conductivity of Bismuth Tellurohalides, Phys. Rev. B, 94, 205130.
- Ast C. R., Pacilé D., Moreschini L., Falub M. C., Papagno M., Kern K., Grioni M., Henk J., Ernst A., Ostanin S., Bruno P. 2007. Giant Spin Splitting Through Surface Alloying, Phys. Rev. Lett. 98, 186807.
- Kresse G., Furthmüller J. 1996. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set, Phys. Rev. B, 54, 11169.
- Hobbs D., Kresse G., Hafner J. 2000. Fully Unconstrained Noncollinear Magnetism within the Projector Augmented-Wave Method, Phys. Rev. B, 62, 11556.
- Steiner S., Khmelevskyi S., Marsmann M., Kresse G. 2016. Calculation of the Magnetic Anisotropy with Projected-Augmented-Wave Methodology and the Case Study of Disordered Fe1−xCox Alloys, Phys. Rev. B 93, 224425.
- Perdew J. P., Burke K., Ernzerhof M. 1996. Generalized Gradient Approximation Made Simple, Phys. Rev. Lett., 77, 3865.
- Grimme S. 2006. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction, J. Comput. Chem., 27, 1787.
- Blöchl P. E. 1994. Projector Augmented-Wave Method, Phys. Rev. B, 50, 17953.
- Kresse G., Joubert J. 1999. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method, Phys. Rev. B, 59, 1758.
- VanGennep D., Maiti S., Graf D., Tozer S. W., Martin C., Berger H., Maslov D. L., Hamlin J. J. 2014. Pressure Tuning the Fermi Level Through the Dirac Point of Giant Rashba Semiconductor BiTeI, J. Phys.: Condens. Matter, 26, 342202.