Figures & data
Table 1 The lattice parameters of BeF2 and LiF crystals
Figure 1 Fragment of the BeF2 quartz structure (left) and its unit cell (right). There are three beryllium atoms and six fluorine atoms in one unit cell of BeF2
![Figure 1 Fragment of the BeF2 quartz structure (left) and its unit cell (right). There are three beryllium atoms and six fluorine atoms in one unit cell of BeF2](/cms/asset/27dd690e-c313-4374-9375-96ff4a1ae838/tnst_a_773169_o_f0001g.jpg)
Figure 3 Lithium (left) and fluorine (right) phonon distribution in LiF. 3*3*2 supercell is implemented and 5*5*5 k-mesh point is selected to confine the Brillion zone. Acoustic mode mainly contributed by fluorine and optic mode contributed by lithium
![Figure 3 Lithium (left) and fluorine (right) phonon distribution in LiF. 3*3*2 supercell is implemented and 5*5*5 k-mesh point is selected to confine the Brillion zone. Acoustic mode mainly contributed by fluorine and optic mode contributed by lithium](/cms/asset/9fc9f930-90c5-47be-9893-d6c37b675fb0/tnst_a_773169_o_f0003g.jpg)
Figure 4 Phonon spectrum of BeF2. 3*3*2 supercell is implemented and 5*5*5 k-mesh point is selected. The line for fluorine mainly contributes to acoustic mode and the curve for beryllium mainly contributes to optic mode
![Figure 4 Phonon spectrum of BeF2. 3*3*2 supercell is implemented and 5*5*5 k-mesh point is selected. The line for fluorine mainly contributes to acoustic mode and the curve for beryllium mainly contributes to optic mode](/cms/asset/6a5c0707-5ae4-488b-9f10-b631697295d9/tnst_a_773169_o_f0004g.jpg)
Table 2 The slow-down property comparison
Table 3 The coherent scattering cross section of free atom and compounds
Figure 5 Cross section of thermal neutron scattering of BeF2 (left) and LiF (right). Both BeF2 and LiF have the same trend. The inelastic scattering cross sections increase with temperature; on the contrary, elastic scattering cross sections decrease when temperature increase
![Figure 5 Cross section of thermal neutron scattering of BeF2 (left) and LiF (right). Both BeF2 and LiF have the same trend. The inelastic scattering cross sections increase with temperature; on the contrary, elastic scattering cross sections decrease when temperature increase](/cms/asset/0a072027-5e48-44e5-972a-d6c4407011ce/tnst_a_773169_o_f0005g.jpg)