Structure and properties of the transition-metal zintl compounds: A14MnBi11 (A = Ca, Sr, Ba)

Neutron Diffraction Study of the Ternary Transition Metal Zintl Compound Ca14MnSb11

“…As shown in Fig. 4(a), after fitting with the nuclear structure based on the X-ray results, extra intensities were found to be superposed on the (2,0,0), (1,1,2), (2,0,0), (0,0,4), (1,3,2), and (2,0,4) reflections. To investigate the nature of these intensities, we performed higher statistical neutron powder diffraction experiments on the same powder sample below and above the magnetic transition temperature on the BT-2 spectrometer.…”

“…From the point of view of Zintl phases, this structure type is electronically positioned at the borderline between the intermetallic and insulating valence compounds (9). A detailed electrical resistivity study shows that the compounds can be categorized as either a narrow gap semiconductor or a metal depending on the pnictogen element (3,4,10) and the transport properties are closely coupled to the magnetic ordering of the compounds (11À13).…”

Synthesis, crystal structures, magnetic and electric transport properties of Eu11InSb9 and Yb11InSb9

“…Over the last 15-20 years, the Zintl concept has been extended to include some transition metals as well as the rare-earth elements [1][2][3][4][5][6][7][8][9][10]. Numerous such compounds have already been synthesized and characterized, featuring new structure types and unusual bonding patterns [5][6][7][8][9], along with a rich variety of interesting physical properties such as mixed valency [5e], superconductivity [8], colossal magnetoresistance [9], thermoelectricity [10], etc.…”

“…Numerous such compounds have already been synthesized and characterized, featuring new structure types and unusual bonding patterns [5][6][7][8][9], along with a rich variety of interesting physical properties such as mixed valency [5e], superconductivity [8], colossal magnetoresistance [9], thermoelectricity [10], etc. Among these, the compounds containing the rare-earth metals as cations are of special interest due to the possible magnetic properties directly related to localized f-electrons.…”

Computing the Properties of Materials from First Principles with SIESTA

“…Ca 14 MnBi 11 and Ba 14 MnBi 11 are two interesting metallic Zintl phases showing unusual magnetic behavior [101,102]. These solids belong to a family of compounds, A 14 MPn 11 , with a crystal structure built from MPn 4 tetrahedra, Pn 3 linear units, isolated Pn atoms, and interstitial alkaline earth A atoms.…”