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Iman Santoso
Universitas Negeri Yogyakarta
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Journal : positron

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DOS and DC Conductivity of Tungsten Diselenide Monolayer Using Large-Scale Tight Binding Time Propagation Method: Trotter-Suzuki Approximation Sara, I Wayan Windu; Santoso, Iman
POSITRON Vol. 16 No. 2 (2026): Vol. 16 No. 2 Edition (This issue was scheduled for publication on July 31, 20
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam, Univetsitas Tanjungpura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26418/positron.v16i2.100845

Abstract

We present the density of states (DOS) and dc conductivity calculation for Tungsten Diselenide (WSe2) monolayer using Trotter-Suzuki tight-binding time propagation method (TB-TPM) for the system size as large as  (4.194.304 atoms). Our study was carried out using TB Hamiltonian model that consists of three orbitals for each W atoms () and Se atom (), respectively. The model considers the first neighbour interactions and omits the spin-orbit coupling. From DOS calculation, we obtain the bandgap of 1.38 eV meanwhile, the dc conductivity calculation yields an asymmetric value between valence and conduction band indicating the difference in the mobility of the charge carriers in this system. Our results are close to the references that obtained from different calculation scheme, showing that TB-TPM with Trotter-Suzuki approach can be applied to study the electronic structure and transport properties of WSe2 monolayer in large system. The results of this study can serve as an initial framework for investigating low-concentration defects in WSe2 monolayer.
Co-Authors Aditya Rikfanto Ahmad Marzuki Arifah, Rifa Rifkiati aseptiana parmawati, aseptiana Cahyoko Edi Tando Chelsea Saint Dewanti, Ageis Triya Dian Swandayani Dian Swandayani Diyan Fatimatuz Zahro Duduh Sunandar Efransyah Efrita Norman Eka Fitriyana Evita Aulia Nur Rohmah Hafdarani Haris Suhendar Hidayat, Muhammad Fauzy Fachrullah Isti Haryati Itaar, Faldy Fernando Iwa Lukmana Iwa Lukmana Maharaja, Andi Aldin Mahendra, Andi Muhammad Alifza Mahfuddin, Mahfuddin Manawati Maria Ulfah Masyhudzulhak Djamil Mulyani, Retna Endah Sri Mulyati, Retna Endah Sri Musa Hubeis Nuari, Feby Nabiilah Nurhadi Nurhadi Pratama, Buky Wahyu Putri, Fadhila Bestary Putri, Rheifani Salsabila Rahim, Zaki Raisa Zukhrufa, Hana Ramadhanty, Desti Retna Endah Sri Mulyati Retna Endah Sri Mulyati Riansyah, Muhammad Ridho Rifani, Denny Nazaria Santoso, Ovy Haniffauzi Zahid Saputra, Bagas Sara, I Wayan Windu Setiawan, Achmad Gilang Siti Khairunnisa, Siti Sri Megawati Suciahesti, Fenny Nur Sudarmaji Sudarmaji SUDARMAJI SUDARMAJI Sudarmaji Sudarmaji Sujatno, Adi Suprapto, Imam Suratni Suratni Syahrullah Syahrullah Syihabuddin Syihabuddin Taba, Tegar Aria Tifaldi, Riska Guniar Ummami, Titah Arkanul Wahyuningtias, Seftyana Utami Wasdili, Arni Rahmah Widia, Wida Wipsar Sunu Brams Dwandaru Yanuarti Apsari Yolanda Azahra