The quasiparticle spectra in the metallic rutile and insulating monoclinic phases of VO2 are shown to be dominated by local Coulomb interactions. In the rutile phase the small orbital polarization among V 3d t2g states leads to weak static but strong dynamical correlations. In the monoclinic phase the large 3d orbital polarization caused by the VuV Peierls distortion gives rise to strong static...

The possibility of the existence of a low temperature monoclinic phase in epitaxial (001) BaTiO3 films on a (001) compressive substrate is analyzed theoretically and compared to recent experimental data from literature. There is good agreement between the theoretical findings and the experimentally observed behavior. The formation of the monoclinic phase arises from the point group reduction du...

A new ortho-rhom-bic polymorph of terephthalaldehyde, C(8)H(6)O(2), with a melting point of 372 K, has been obtained by recrystallization from ethanol. At room temperature, the crystals transform into the well known monoclinic form, with a melting point of 389 K. The crystal structure of the monoclinic form involves C-H⋯O hydrogen bonds, but no such bonds are observed in the orthorhombic form. ...

A monoclinic polymorph of theophylline, C(7)H(8)N(4)O(2), has been obtained from a chloro-form/methanol mixture by evaporation under ambient conditions. The new polymorph crystallizes with two mol-ecules in the asymmetric unit. The structure features inter-molecular N-H⋯O hydrogen bonds, resulting in the formation of dimers between two crystallographically different mol-ecules; each mol-ecule a...

We give an analysis of the stability and uniqueness of the simply laminated microstructure for all three tetragonal to monoclinic martensitic transformations. The energy density for tetragonal to monoclinic transformations has four rotationally invariant wells since the transformation has four variants. One of these tetragonal to monoclinic martensitic transformations corresponds to the shearin...

Monoclinic structures of niobium trisulfide Matthew A. Bloodgood,1 Pingrong Wei,1 Ece Aytan,2 Krassimir N. Bozhilov,3 Alexander A. Balandin,2 and Tina T. Salguero1,a 1Department of Chemistry, University of Georgia, Athens, Georgia 30602, USA 2Nano-Device Laboratory (NDL) and Phonon Optimized Engineered Materials (POEM) Center, Department of Electrical and Computer Engineering, University of Cal...

Ranjan et al. @Phys. Rev. B 65, 060102~R! ~2002!# have recently presented results of a powder neutrondiffraction study of the high-temperature monoclinic (FM ) to low-temperature monoclinic (FM ) phase transition in Pb(Ti12xZrx)O3 discovered by Ragini et al. @Phys. Rev. B 64, 054101 ~2001!#. They attribute the presence of superlattice reflections in the diffraction data to tilting of oxygen oct...

Immobilization of biomolecular probes to the sensing substrate is a critical step for biosensor fabrication. In this work we investigated the phosphate-dependent, oriented immobilization of DNA to hafnium dioxide surfaces for biosensing applications. Phosphate-dependent immobilization was confirmed on a wide range of hafnium oxide surfaces; however, a second interaction mode was observed on mon...

The authors draw upon recent first-principles calculations of monoclinic NiTi elastic constants to develop a combined numerical– empirical, texture-based approach for calculating the Young’s modulus of polycrystalline, monoclinic nickel–titanium specimens. These calculations are carried out for load direction inverse pole figures measured in situ via neutron diffraction during tension–compressi...

A second, monoclinic, polymorph of the title compound, C(14)H(8)Cl(2), has been found. In addition to the structure of this monoclinic form, the structure of the previously described orthorhombic form [Desvergne, Chekpo & Bouas-Laurent (1978). J. Chem. Soc. Perkin Trans. 2, pp. 84-87; Benites, Maverick & Fronczek (1996). Acta Cryst. C52, 647-648] has been redetermined at low temperature and usi...