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Journal : JOURNAL ONLINE OF PHYSICS

STUDY OF DOS (DENSITY OF STATE) OF HALIDE PEROVSKITES CH3NH3PbI3 USING TROTTER-SUZUKI TIME PROPAGATION METHOD Perdana, Teguh Iman; Sholihun, Sholihun; Santoso, Imam
JOURNAL ONLINE OF PHYSICS Vol. 10 No. 2 (2025): JOP (Journal Online of Physics) Vol 10 No 2
Publisher : Prodi Fisika FST UNJA

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/jop.v10i2.41224

Abstract

This study investigates the electronic properties of CH₃NH₃PbI₃ using the tight-binding time propagation method (TB-TPM) combined with the Trotter-Suzuki decomposition. The research focuses on computing the density of states (DOS) for various system sizes and time step parameters, employing a real-space approach to model the electronic structures of the material. Considering only the s-orbitals of Pb and I atoms reduces the computational complexity, enabling efficient simulations. The results indicate a metallic behavior, deviating from the expected semiconducting properties reported in prior studies due to the exclusion of critical p-orbital interactions. The study also highlights the effect of timestep size on the accuracy of the correlation functions and DOS, emphasizing the need for smaller timesteps to resolve spectral features effectively.
Co-Authors A.A. Ketut Agung Cahyawan W Abdul Haris Abdul Rahim Abdulah, Budiman Adhim, Muhammad Fauzul Aghus Sofwan Agustina, Chintya Rizki Ahda Mulyati Ahmad Dhiyaul Haq Ainur Rofiq Aji, Ambyah Atas Ajub Ajulian Zahra Macrina Akhsan, Muh Al Azhari, Muhammad Fuady Ali Djamhuri Ali, Toni Saidun Amelia Syarfina Qisthi Amin Yusuf Andreastika, Kristantiya Andri Wardita Andrianto, Usman Anggraini, Putri Nur Anik Herwati Ardaneswari Dyah Pitaloka Citraresmi Arif Hidayat Arif Julianto Sri Nugroho, Arif Julianto Sri Arifin Arifin Arul, Ramli Arul, Ramli Atmaka, Sri Dharma Cyntya Aunur Rofiq Mulyarto Azhari, Sri Rahayu Indah Azzahro, Mawaddah Basamekha, Shuhd Khaled Hood Choirun, Annisa Choirun, Annisa'u Choirun, Annisa’u Cicik Fauziya Dany Nugroho Saputro Daud Rasyid Deni Rahman Dewi Liesnoor Setyowati Dhita Morita Ikasari Dodyk Pranowo Endah Rahayu, Endah Erminawati Erminawati erminawati Etty Carolina Fabianus Marintis Faesal, Abiq Muhammad Farida, Siska Nifroatul Fatma Lestari Febrianty, Ersha Firmansyah , Hadi Fountain, Michael Jeremy Fuad Achmadi Grace Karlina Permatasari Hadi Suyono Hamzah, Abdulah Nur Hariyanto, Dian Hastuti, Nur Windhi Helmi, M. Nurman Herdhata Agusta Hermawansyah, Wawan Hersulastuti, Hersulastuti Hidayat, Ditya Pramesti I Gusti Bagus Wiksuana Ika Atsari Dewi Irfa'i, Muhammad Irfansyah, Dicki Irwansyah Irwansyah Isnawati Isnawati Jaja Suteja Jamaludin, Maun Jarot Prasetyo Juarsa, Juarsa Juliani, Ridha Karouw, Barthe Khafizh Rosyidi, Khafizh Koderi Kumara Hadi, Danang Lu'ayya, Naila Maulidina Lu’ayya, Naila Maulidina M. Amir Salipu Makbul, Agung Mangku Purnomo Maulana Kamal Miftahurrahmah, Aisyah Miswanto Miswanto Moh. Sidik Priadana Mohammad Bisri Muchlis Dwi Prasetiyo, Muchlis Dwi Muflihah Ramadhia Muhammad Imam Dani Putra Muhammad Wildan Aula Sabiq Muhidin Muhidin Mulyani Mulyani Mulyanti, Rita Yuni Murjito, Winarno Heru Nana Mulyana Nanang Suryadi Nasrullah Nasrullah Nopianti, Putri Riski Noraida Noraida, Noraida Nurlatifah, Syifa Nurmaningtyas, Anggia Riani Nursam, Natalita Maulani NurSiaga, Rahmat Panji Deoranto Perdana, Adeev Nidya Perdana, Teguh Iman Prameswari, Puspa Ayu Indah Pranowo, Taufik Agung Pratiwi, Larang Priyanto, Agustinus Sugeng Priyono, Slamet Pujiawati, Lilis Purwadi Purwadi Putri, Rizka Aidina Quiko, Alfonso Sabatani R. Rizal Isnanto Rahima, Desiree Rain Rahmawati Rahmawati, Rahmawati Rahwamati, Rahwamati Rengganis Fitriani, Rengganis Retnaningsih, Lilis Retno Astuti Rheysa Permata Sari Riska Septifani Rizky Lutfian Ramadhan Silalahi, Rizky Lutfian Ramadhan Rodjani, Ines Hadianesti Roesmasari, Rindha Ayu Rusdiana Setyaningtyas Ruseno, Ndaru Saidun Ali, Toni Sandopart, Dewa Putu Yohanes Yohanes Agata L. Sari, Eva Novita Sa’adah, Miftahus Setianingtyas, Anna Febrianty Shobih Shobih Sholihun, Sholihun Siti Asmaul Mustaniroh Siti Asmaul, Siti Siti Handayani Siti Narsito Wulan Slamet . Sohri, Moch. Soma, Mukti Sri Kumalaningsih Sri Yulaikah, Sri Sucipto Sucipto Sudirman, M. Iman Sukiswo Sukiswo Sukma Maharani Sulaiman Hamzani Sultoni, Raden Muh Supriatininingsih, Supriatiningsih Suranto, Much Suryaningsih, Fina Susanto, Sigit Susinggih Wijana Suwito Eko Pramono Syarifudin Syarifudin Syoni Soepriyanto Tania, Vika Teguh Dwi Prihartono Tirtasari, Maidaturrizky Usman Effendi Utari, Dewi Veithzal Rivai Zainal Viarawangi, Fani Maria Wafi'uddin, Izzum Wahyul Amien Syafei Wahyuliana, Eka Wahyuni, Ayu Sri Wati, Lela Nurlaela Widianto, Eri Widya Hari Pratiwi Wike Agustin Prima Dania Winanda, Dian Septyani Wulandari, Mey Yani, Achmad Yeni Yuliasia Yuli Christiyono Yusfik, Yusnita Yustiani, Evira Bella Yusuf Wibisono Yusuf Wijanarko Zebua, Mercyana Trianne