Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO3.4

Bayu Aditya; Muhammad Aziz Majidi

doi:10.1063/5.0008531

Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO_3.4

Bayu Aditya, Muhammad Aziz Majidi

Department of Physics

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

A recent experimental study on Sr_1-yNbO_3+δ revealed that the material has very high anisotropy in its transport and optical response characteristics. The material behaves as a conductor along a crystal axis, but as an insulator along b and c crystal axes. We hypothesize that the strong anisotropy occurs because of the unique arrangement of orbitals of certain atoms around the Fermi level. To find out the most contributing orbitals, we do density functional theory (DFT) calculation and map the results to construct a multi-band tight-binding Hamiltonian. We remove the orbitals that have low contribution to the main feature of the band structure around the Fermi level, until we obtain a minimal Hamiltonian that still carries the strong anisotropic characteristic. Our results reveal that the d orbitals of Nb atoms in the interfaces, O atoms between Nb, and the crystal structure of SrNbO_3.4 itself determine the anisotropic characteristic of the transport and optical properties of the material.

Original language	English
Title of host publication	Conference on Theoretical Physics and Nonlinear Phenomena, CTPNP 2019
Subtitle of host publication	Excursion from Vacuum to Condensed Matter
Editors	Husin Alatas, Bum-Hoon Lee, Agus Purwanto, Laksana Tri Handoko, Eny Latifah, Umar Mohideen, Andrivo Rusydi, Hari Wisodo, Markus Diantoro, Arif Hidayat, Ahmad Taufiq, Tasrief Surungan, Norhayati Ahmad, Suruati Sufian, Ardian Nata Atmaja, Imam Fachruddin, Bobby Eka Gunara, Mirza Satriawan, Albert Sulaiman
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735419933
DOIs	https://doi.org/10.1063/5.0008531
Publication status	Published - 18 May 2020
Event	2019 Conference on Theoretical Physics and Nonlinear Phenomena: Excursion from Vacuum to Condensed Matter, CTPNP 2019 - Malang, East Java, Indonesia Duration: 9 Oct 2019 → 10 Oct 2019

Publication series

Name	AIP Conference Proceedings
Volume	2234
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	2019 Conference on Theoretical Physics and Nonlinear Phenomena: Excursion from Vacuum to Condensed Matter, CTPNP 2019
Country/Territory	Indonesia
City	Malang, East Java
Period	9/10/19 → 10/10/19

Access to Document

10.1063/5.0008531

Cite this

Aditya, B., & Majidi, M. A. (2020). Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO_3.4. In H. Alatas, B-H. Lee, A. Purwanto, L. T. Handoko, E. Latifah, U. Mohideen, A. Rusydi, H. Wisodo, M. Diantoro, A. Hidayat, A. Taufiq, T. Surungan, N. Ahmad, S. Sufian, A. N. Atmaja, I. Fachruddin, B. E. Gunara, M. Satriawan, & A. Sulaiman (Eds.), Conference on Theoretical Physics and Nonlinear Phenomena, CTPNP 2019: Excursion from Vacuum to Condensed Matter Article 040035 (AIP Conference Proceedings; Vol. 2234). American Institute of Physics Inc.. https://doi.org/10.1063/5.0008531

Aditya, Bayu ; Majidi, Muhammad Aziz. / Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO_3.4. Conference on Theoretical Physics and Nonlinear Phenomena, CTPNP 2019: Excursion from Vacuum to Condensed Matter. editor / Husin Alatas ; Bum-Hoon Lee ; Agus Purwanto ; Laksana Tri Handoko ; Eny Latifah ; Umar Mohideen ; Andrivo Rusydi ; Hari Wisodo ; Markus Diantoro ; Arif Hidayat ; Ahmad Taufiq ; Tasrief Surungan ; Norhayati Ahmad ; Suruati Sufian ; Ardian Nata Atmaja ; Imam Fachruddin ; Bobby Eka Gunara ; Mirza Satriawan ; Albert Sulaiman. American Institute of Physics Inc., 2020. (AIP Conference Proceedings).

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abstract = "A recent experimental study on Sr1-yNbO3+δ revealed that the material has very high anisotropy in its transport and optical response characteristics. The material behaves as a conductor along a crystal axis, but as an insulator along b and c crystal axes. We hypothesize that the strong anisotropy occurs because of the unique arrangement of orbitals of certain atoms around the Fermi level. To find out the most contributing orbitals, we do density functional theory (DFT) calculation and map the results to construct a multi-band tight-binding Hamiltonian. We remove the orbitals that have low contribution to the main feature of the band structure around the Fermi level, until we obtain a minimal Hamiltonian that still carries the strong anisotropic characteristic. Our results reveal that the d orbitals of Nb atoms in the interfaces, O atoms between Nb, and the crystal structure of SrNbO3.4 itself determine the anisotropic characteristic of the transport and optical properties of the material.",

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Aditya, B & Majidi, MA 2020, Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO_3.4. in H Alatas, B-H Lee, A Purwanto, LT Handoko, E Latifah, U Mohideen, A Rusydi, H Wisodo, M Diantoro, A Hidayat, A Taufiq, T Surungan, N Ahmad, S Sufian, AN Atmaja, I Fachruddin, BE Gunara, M Satriawan & A Sulaiman (eds), Conference on Theoretical Physics and Nonlinear Phenomena, CTPNP 2019: Excursion from Vacuum to Condensed Matter., 040035, AIP Conference Proceedings, vol. 2234, American Institute of Physics Inc., 2019 Conference on Theoretical Physics and Nonlinear Phenomena: Excursion from Vacuum to Condensed Matter, CTPNP 2019, Malang, East Java, Indonesia, 9/10/19. https://doi.org/10.1063/5.0008531

Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO_3.4. / Aditya, Bayu; Majidi, Muhammad Aziz.
Conference on Theoretical Physics and Nonlinear Phenomena, CTPNP 2019: Excursion from Vacuum to Condensed Matter. ed. / Husin Alatas; Bum-Hoon Lee; Agus Purwanto; Laksana Tri Handoko; Eny Latifah; Umar Mohideen; Andrivo Rusydi; Hari Wisodo; Markus Diantoro; Arif Hidayat; Ahmad Taufiq; Tasrief Surungan; Norhayati Ahmad; Suruati Sufian; Ardian Nata Atmaja; Imam Fachruddin; Bobby Eka Gunara; Mirza Satriawan; Albert Sulaiman. American Institute of Physics Inc., 2020. 040035 (AIP Conference Proceedings; Vol. 2234).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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T1 - Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO3.4

AU - Aditya, Bayu

AU - Majidi, Muhammad Aziz

PY - 2020/5/18

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N2 - A recent experimental study on Sr1-yNbO3+δ revealed that the material has very high anisotropy in its transport and optical response characteristics. The material behaves as a conductor along a crystal axis, but as an insulator along b and c crystal axes. We hypothesize that the strong anisotropy occurs because of the unique arrangement of orbitals of certain atoms around the Fermi level. To find out the most contributing orbitals, we do density functional theory (DFT) calculation and map the results to construct a multi-band tight-binding Hamiltonian. We remove the orbitals that have low contribution to the main feature of the band structure around the Fermi level, until we obtain a minimal Hamiltonian that still carries the strong anisotropic characteristic. Our results reveal that the d orbitals of Nb atoms in the interfaces, O atoms between Nb, and the crystal structure of SrNbO3.4 itself determine the anisotropic characteristic of the transport and optical properties of the material.

AB - A recent experimental study on Sr1-yNbO3+δ revealed that the material has very high anisotropy in its transport and optical response characteristics. The material behaves as a conductor along a crystal axis, but as an insulator along b and c crystal axes. We hypothesize that the strong anisotropy occurs because of the unique arrangement of orbitals of certain atoms around the Fermi level. To find out the most contributing orbitals, we do density functional theory (DFT) calculation and map the results to construct a multi-band tight-binding Hamiltonian. We remove the orbitals that have low contribution to the main feature of the band structure around the Fermi level, until we obtain a minimal Hamiltonian that still carries the strong anisotropic characteristic. Our results reveal that the d orbitals of Nb atoms in the interfaces, O atoms between Nb, and the crystal structure of SrNbO3.4 itself determine the anisotropic characteristic of the transport and optical properties of the material.

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M3 - Conference contribution

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BT - Conference on Theoretical Physics and Nonlinear Phenomena, CTPNP 2019

A2 - Alatas, Husin

A2 - Lee, Bum-Hoon

A2 - Purwanto, Agus

A2 - Handoko, Laksana Tri

A2 - Latifah, Eny

A2 - Mohideen, Umar

A2 - Rusydi, Andrivo

A2 - Wisodo, Hari

A2 - Diantoro, Markus

A2 - Hidayat, Arif

A2 - Taufiq, Ahmad

A2 - Surungan, Tasrief

A2 - Ahmad, Norhayati

A2 - Sufian, Suruati

A2 - Atmaja, Ardian Nata

A2 - Fachruddin, Imam

A2 - Gunara, Bobby Eka

A2 - Satriawan, Mirza

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PB - American Institute of Physics Inc.

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Aditya B, Majidi MA. Investigation on minimal Hamiltonian for system of material with highly anisotropic transport and optical properties SrNbO_3.4. In Alatas H, Lee B-H, Purwanto A, Handoko LT, Latifah E, Mohideen U, Rusydi A, Wisodo H, Diantoro M, Hidayat A, Taufiq A, Surungan T, Ahmad N, Sufian S, Atmaja AN, Fachruddin I, Gunara BE, Satriawan M, Sulaiman A, editors, Conference on Theoretical Physics and Nonlinear Phenomena, CTPNP 2019: Excursion from Vacuum to Condensed Matter. American Institute of Physics Inc. 2020. 040035. (AIP Conference Proceedings). doi: 10.1063/5.0008531