Publications by authors named "Borstel G"
The atomic and electronic structure of CaF2 and BaF2 crystals with H centers: a hybrid DFT calculation study.
J Phys Condens Matter
February 2010
Using the B3PW method we simulate the ground state of H center systems for CaF(2) and BaF(2) crystals. The energy difference between H centers with different orientations shows that the H center oriented in the [111] direction in alkaline earth fluorides is the most stable. We present the geometric relaxations of the neighboring atoms surrounding the H center.
View Article and Find Full Text PDFRelativistic full-potential photoemission theory for ferromagnetic materials.
Phys Rev B Condens Matter
October 1995
Movement of the interphase boundary in KNbO3 under pressure.
Phys Rev B Condens Matter
September 1995
Gamma phonons and microscopic structure of orthorhombic KNbO3 from first-principles calculations.
Phys Rev B Condens Matter
December 1994
Relativistic photoemission theory for space-filling potentials.
Phys Rev B Condens Matter
November 1994
Phonon properties of KNbO3 and KTaO3 from first-principles calculations.
Phys Rev B Condens Matter
July 1994
Electronic structure and lattice relaxation related to Fe in MgO.
Phys Rev B Condens Matter
March 1994
Ferroelectric structure of KNbO3 and KTaO3 from first-principles calculations.
Phys Rev B Condens Matter
September 1993
Temperature-dependent electronic structure and magnetic behavior of Mott insulators.
Phys Rev B Condens Matter
August 1992
Electronic structure of nickel, iron, and cobalt impurities in magnesium oxide.
Phys Rev B Condens Matter
February 1991
Magnetic phase transitions in narrow nondegenerate energy bands.
Phys Rev B Condens Matter
July 1990