6 papers
Pressure induced Electronic and Structural Transition in BaNiTeO
Bidisha Mukherjee, Supratik Mukherjee, Mrinmay Sahu +5
This study explores the pressure evolution of the double perovskite BaNiTeO by employing experimental and computational techniques. For the study of structural and vibratio…
Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds
Yuqing Yin, Nityasagar Jena, Florian Knoop +16
Since the pioneering works of Peierls, one-dimensional materials have attracted great attention. Still, the synthesis of truly monoatomic chains remains elusive. In this study, we…
Compressional rate-dependent stability of ammonia hydrates crystallized from water-rich ammonia-water solutions
Anshuman Mondal, Katharina Mohrbach, Konstantin Glazyrin +2
Understanding the crystallization pathways of water-rich ammonia-water (NH3-H2O) solutions and the stability of ammonia hydrates is key to unraveling the behavior of complex hydrog…
Observation of Body-Centered Cubic Iron above 200 Gigapascals
Zuzana Konopkova, Eric Edmund, Orianna B Ball +34
The crystallographic structure of iron under extreme conditions is a key benchmark for cutting-edge experimental and numerical methods. Moreover, it plays a crucial role in underst…
Soft mode induced structural phase transition in BaZnTeO at high pressure
Bidisha Mukherjee, Surajit Adhikari, Mrinmay Sahu +5
In this paper, we present a thorough investigation of vibrational, structural, and electronic properties of perovskite-type rhombohedral BaZnTeO (BZTO) under systematic app…
Emission enhancement and bandgap narrowing in under pressure
Debabrata Samanta, Suvashree Mukherjee, Asish Kumar Mishra +5
Pressure-induced emission enhancement and bandgap narrowing in vacancy-ordered halide double perovskite are extensively investigated through photoluminescence and abso…