Papers citing First-principles study of structural, electronic, and optical properties of
Nonlinear optics at epsilon near zero: From origins to new materials
Applied Physics Reviews · 2024-03-01
Dhruv Fomra, Adam R. Ball, Samprity Saha, Jingwei Wu, Md. Sojib, Amit Kumar Agrawal, Henri J. Lezec, Nathaniel Kinsey
Read original paper ↗ ·First-principles investigation of structural, electronic, optical, mechanical, and phonon properties of Pb- and Sn-based cubic oxide perovskites for optoelectronic applications
RSC Advances · 2025-01-01
Md. Sakib Hasan Saikot, Rifat Rafiu, Imtiaz Ahamed Apon, Ali El‐Rayyes, Md. Azizur Rahman, Mohd. Shkir, Zubair Ahmad, R. Marnadu
Read original paper ↗ ·The quest of novel materials for renewable energy: A DFT approach of tuning the physical attributes of KInX3 (X=F, Cl, Br, I) perovskites
Physica B Condensed Matter · 2025-01-18
Masoofa Akhtar, Junaid Munir, Hudabia Murtaza, Quratul Ain, Abdullah Saleh Aldwayyan, Hamid M. Ghaithan, Abdullah Ahmed Ali Ahmed, Saif M. H. Qaid
Read original paper ↗ ·MoSe2/BP heterobilayers with vacancy defects enhancing photovoltaic properties: A first-principles study
Materials Today Communications · 2025-01-25
Linjun Xu, Qingquan Xiao, Jianfeng Ye, Yao Hua Zhu, Quan Xie
Read original paper ↗ ·First-Principles Simulation of SrReN₃ Nitrogen-Based Perovskite Insights into Structural, Electronic, Thermoelectric, Optical, and Mechanical Properties for Next-Generation Materials
Brazilian Journal of Physics · 2025-06-28
Nisha Mahepal, Trilok Akhani, Mitesh B. Solanki
Read original paper ↗ ·High-performance oxide perovskites CoAlO3 and CrAlO3: a comprehensive DFT analysis for optoelectronic systems
The European Physical Journal B · 2025-11-01
Meshal Fatima, Albandari W. Alrowaily, B. M. Alotaibi, Haifa A. Alyousef, Abhinav Kumar, Rizwan Ul Hassan
Read original paper ↗ ·Multifunctional potential of SrMoN 3 nitride perovskite: A DFT study of structural, optical, electronic, thermoelectric, phonon, thermodynamic and mechanical properties
International Journal of Modern Physics B · 2025-12-08
Nisha Mahepal, Trilok Akhani, Mitesh B. Solanki
Read original paper ↗ ·Radiation‐Tolerant Properties of Mg 2 XN 3 (X = Nb, Sb) Nitrides: A First‐Principles Study Toward Ion Beam‐Driven Functional Applications
physica status solidi (b) · 2025-12-15
Nisha Mahepal, Trilok Akhani, Mitesh B. Solanki
Read original paper ↗ ·SrTcN 3 Nitride Perovskite: A First‐Principles Investigation of Electronic, Optical, Thermoelectric, Phonon, Thermodynamic, and Mechanical Properties
physica status solidi (b) · 2026-03-01
Nisha Mahepal, Trilok Akhani, Mitesh B. Solanki
Read original paper ↗ ·Pressure-induced tuning of the physical properties of BaSnO3: first-principles calculations
Journal of Materials Science · 2026-03-24
Limin Chen, H R Qian, Shimin Chen
Read original paper ↗ ·