First principles calculations are preformed to systematically investigate the elastic and thermodynamic properties of Re2N at high pressure and high temperature. The Re2N exhibits a clear elastic anisotropy and the elastic constants C11 and C33 vary rapidly in comparison with the variations in C12, C13 and C44 at high pressure. In addition, bulk modulus B, elastic modulus E, and shear modulus Gas a function of crystal orientations for Re2N are also investigated for the first time. The tensile directional dependences of the elastic modulus obey the following trend： [0001] [1211] [1010] [1011]EEEE〉〉〉 . The shear moduli of Re2N within the （0001） basal plane are the smallest and greatly reduce the resistance of against large shear deformations. Based on the quasi-harmonic Debye model, the dependences of Debye temperature, Grüneisen parameter, heat capacity and thermal expansion coefficient on the temperature and pressure are explored in the whole pressure range from 0 to 50 GPa and temperature range from 0 to 1600 K.
“课程思政”是新时代加强高校人才培养的新要求、新举措。“固体物理”是物理类及相关专业一门重要的课程,该课程中蕴含着丰富的思政教育资源,充分发挥其承载的思政育人功能具有重要的时代意义。如何在“固体物理”课程中有效地开展思政教育是当前教学改革的重点和难点问题之一。结合高校相关专业开设“固体物理”课程的特点,对“固体物理”课程中蕴含的思政元素进行了挖掘,并对课程思政实施路径进行了探索,文中所采取的方法和措施可为相关专业同类课程开展课程思政提供借鉴。“Curriculum thinking and politics” is a new requirement and new measure for strengthening college talent training in the new era. “Solid State Physics” is an important course of physics and related majors, which contains rich ideological and political education resources. It is of great significance to give full play to its ideological and political education function. How to effectively carry out ideological and political education in the course of “Solid State Physics” is one of the key and difficult problems in the current teaching reform. Combined with the characteristics of “Solid State Physics” course offered by relevant majors in colleges and universities, we systematically sorted out the ideological and political elements contained in the course of “Solid State Physics”, and explored the implementation path of the course. The methods and measures adopted in this paper can provide reference for similar courses of related majors to carry out curriculum ideological and political.
The first-principle calculations are performed to investigate the structural,mechanical and electronic properties of titanium borides （Ti2B,TiB and TiB2）.Those calculated lattice parameters are in good agreement with the experimental data and previous theoretical values.All these borides are found to be mechanically stable at ambient pressure.Compared with parent metal Ti （120 GPa）,the larger bulk modulus of these borides increase successively with the increase of the boron content in three borides,which may be due to direction bonding introduced by the boron atoms in the lattice and the strong covalent Ti-B bonds.Additionally,TiB can be regarded as a candidate of incompressible and hard material besides TiB2.Furthermore,the elastic anisotropy and Debye temperatures are also discussed by investigating the elastic constants and moduli.Electronic density of states and atomic Mulliken charges analysis show that chemical bonding in these titanium borides is a complex mixture of covalent,ionic,and metallic characters.
