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2种未经处理的r-MnO_2样品(化学二氧化锰CMD和电解二氧化锰EMD)在20K的非弹性中子散射谱显示,观测到的谱带强度与晶格中Mn ̄(4+)空位成正比.固定的质子在500到1000cm ̄(-1)频段具有较宽的谱带.此外,延伸到整个能量传递范围的宽幅散射连续谱可用质子反弹(坎普顿效应)来解释.这些几乎自由的质子经历一个很浅的势能屏障(30cm ̄(-1)).对经过化学还原处理的材料(EMD和CMD)和水锰矿在20K的谱图进行了比较.谱图在1100、2200和3100cm ̄(-1)处有3个主峰,与几乎是各向同性的简并振荡的0→1,0→2和0→3的跃迁对应,强度比I_02/I_01与质量递减为1原子质量单位的振荡一致.因而可以排除这些样品中存在键结合的MnOOH结构.大多数插入的质子位于氧原子八面体的中心孔洞中.包括非弹性中子散射(INS)的谱带强度和声子翼的力场计算均与观测结果吻合很好.对水锰矿的INS谱图1124cm ̄(-1)处的主谱带可以分解为在1131cm ̄(-1)和1093cm ̄(-1)处的分谱带,强度比I_(1131)/I_(1095)~2.这种分裂起因于质子位置的稍微各向异性.经化学还原处理的样品?
The inelastic neutron scattering spectra at 20K for the two samples of untreated r-MnO 2 (chemical manganese dioxide CMD and electrolytic manganese dioxide EMD) show that the observed band intensities are proportional to Mn 4+ vacancies in the lattice Is proportional. Fixed protons have a broad band in the 500 to 1000 cm ~ (-1) band. In addition, a broad scattering continuum that extends over the entire energy transfer range can be explained by proton bounce (Camponian effect). These almost free protons undergo a very shallow potential barrier (30 cm -1). The spectra of the chemically reduced material (EMD and CMD) and manganite at 20K were compared. The spectra have three main peaks at 1100, 2200 and 3100 cm ~ (-1), corresponding to transitions of 0 → 1, 0 → 2 and 0 → 3 of nearly isotropic degenerate oscillations with an intensity ratio of I_02 / I_01 Consistent with the decay of mass to 1 atomic mass unit. It is therefore possible to exclude the existence of the bound MnOOH structure in these samples. Most of the inserted protons are located in the center hole of the oxygen atom octahedron. Including the inelastic neutron scattering (INS) band strength and phonon wing force field calculations are consistent with the observations. The main band at 1124 cm -1 can be decomposed into the subspecies bands at 1131 cm -1 and 1093 cm -1 at the INS spectrum of the manganite. The intensity ratio I 1131 / 1095) ~ 2. This split results from a slight anisotropy of the proton position. Chemically reduced sample?