We have reported the high-pressure behavior of energetic material trimethylsilane azide
((CH3) 3SiN3, TMSiN3) by in situ Raman scattering and synchrotron angle-dispersive X-ray …

Investigating the thermal transport properties of materials is of great importance in the field of
earth science and for the development of materials under extremely high temperatures and …

The effect of pressure on the structure and electronic properties of the α-phase of sodium
amide is studied by ab initio calculations based on the density functional theory. Linear …

Epitaxial growth and structural characteristics of metastable β-In 2 Se 3 thin films on H-
terminated Si (111) substrates are studied. The In 2 Se 3 thin films grown below the β-to-α …

The spectroscopic properties and anharmonic force fields of NaNH 2 are studied in present
work by DFT (B3P86 and B3PW91) and MP2 methods in combination with 6-311++ G (2d …

Understanding the physical mechanism of structural stability and transition in various
polytypes of layered transition metal dichalcogenides under the external stimulus is of …

Исследовано посредством первопринципных расчетов, основанных на теории
функционала плотности, влияние давления на структуру и электронные свойства α …

В последнее время наблюдается значительный интерес к сложным гидридам на
основе азота, в частности к свойствам амида натрия [1]. Исследования показали, что …