Molecular-Dynamics Study of Mechanical Deformation in Nano-Crystalline Aluminum (2009)
K. Kadau, T. C. Germann, P. S. Lomdahl, B. L. Holian, D. Kadau, P. Entel, ...
We report on molecular-dynamics (MD) simulations of tensile loading of nano-crystalline Al modeled by an embedded-atom method (EAM) potential. Usage of two different sample preparation methods of the...
Dannenberg, A., Gruner, M. E., Hucht, A., Entel, P.
We have calculated surface energies and surface magnetic order of various low-indexed surfaces of monoatomic Fe, Co, and Pt, and binary, ordered FePt, CoPt, and MnPt using density functional theory....
M. E. Gruner, G. Rollmann, P. Entel, G. Münster, D. Wolf, M. Kremer (editors, ...
published in
Ab initio study of the interface properties of Fe/GaAs(110) (2009)
Grünebohm, A., Herper, H. C., Entel, P.
We have investigated the initial growth of Fe on GaAs(110) by means of density functional theory. In contrast to the conventionally used (001)-surface the (110)-surface does not reconstruct....
Moskalenko, V. A., Entel, P., Dohotaru, L. A., Citro, R.
A diagrammatic theory around atomic limit is proposed for normal state of Anderson Impurity Model. The new diagram method is based on the ordinary Wick's theorem for conduction electrons and a...
Ab initio Molecular Dynamics and Elastic Properties of TiC and TiN Nanoparticles (2008)
The results of first-principles simulations of relaxed ground-state structure and vibrational modes are presented for titanium carbide and titanium nitride clusters of nearly stoichiometric...
A first-principles investigation of tetragonal and orthorhombic deformations (2008)
Heusler Alloy Nimnga, A. T. Zayak, P. Entel, J. Hafner
in the ferromagnetic
DETERMINATION OF MELTING OF WATER CLUSTERS USING DENSITY FUNCTIONAL THEORY (2008)
We determined the phase transition of a few selected clusters of water from molecular dynamics simulation by applying a density functional based tight-binding code. An attempt is made to correlate...
SIMULATION OF THE (p, T) PHASE DIAGRAM OF THE TEMPERATURE DRIVEN METAMAGNET α-FeRh (2008)
We perform finite pressure Monte Carlo simulations of an effective spin-analogous model with coupled magnetic and lattice degrees of freedom, which has been previously proposed in order to explain...
HIGH-PRESSURE CHARACTERISTICS OF α−Fe2O3 USING DFT+U (2008)
G. Rollmann, P. Entel, A. Rohrbach, J. Hafner
We have calculated structural, magnetic and electronic properties of corundum-type α-Fe2O3 from first principles using densityfunctional theory (DFT) and the DFT+U method to account for correlation...
9 Molecular Dynamics Simulations in Biology, Chemistry and Physics (2008)
P. Entel, W. A. Adeagbo, M. Sugihara, G. Rollmann, A. T. Zayak, M. Kreth, ...
Abstract. We review recent progress in understanding fundamental processes in biology, chemistry and physics on the basis of ab initio and molecular dynamics simulations. The first step of the visual...
FREEZING AND MELTING OF CLUSTERS AND EXAMINATION OF THE POTENTIAL ENERGY SURFACE (2008)
K. L. Nierholz, R. Meyer, P. Entel
This paper addresses the structural and thermodynamical properties of Ar55 clusters. A description of thermodynamical and structural properties is given. Caloric curves for the microcanonical and the...
Abstract. Role of shuffles and atomic disorder in Ni-Mn-Ga (2008)
We report results of ab-initio calculations of the ferromagnetic Heusler alloy Ni2MnGa. Particular emphasis is placed on the stability of the low temperature tetragonal structure with c/a = 0.94....
A. Hucht, S. Buschmann, P. Entel
Molecular dynamics simulations of the dipolar-induced formation
Massively Parallel Density Functional Theory Calculations of Large Transition Metal Clusters (2008)
M. E. Gruner, G. Rollmann, A. Hucht, P. Entel
Abstract: We report on ab initio density functional theory (DFT) calculations of structural properties of large elementary transition metal clusters with up to 561 atoms, corresponding to a diameter...
MONTE CARLO STUDY OF THE MAGNETOELASTIC PROPERTIES OF FE-NI CLUSTERS (2007)
M. E. Gruner, S. Sil, P. Entel
The search for new properties of materials composed of clusters (clusterassembled materials) or of small nanoparticles has reached a state of technological importance. Moreover the evolution of the...
Contributed To, E. Hoffmann, P. Entel, H. C. Herper, H. C. Herper
Abstract: We apply a full-potential first-principles method to investigate the electronic-structure and elastic features of pure iron and ordered transition metal systems like Fe-Ni and Fe-Mn. The...
The study of the thermodynamical stability of Fe80Ni20 nanoparticles in the framework of embedded-atom method and moleculardynamics simulations shows evidence of large surface contributions to the...
We have studied the structure of monolayers of iron on a Cu(001) substrate. By means of molecular-dynamics simulations in combination with embedded-atom potentials for the description of the...
PBS: FROM SOLIDS TO CLUSTERS (2007)
Semiconducting nanocrystallites like PbS exhibit electronic and optical properties greatly differing from those observed in the bulk material due to quantum size effects. By decreasing the diameter...
AB INITIO STUDY OF IRON AND Cr/Fe(001) (2007)
H. C. Herper, E. Hoffmann, P. Entel
In the present paper interfacial mixing of a thin chromium overlayer on bcc iron is studied. The calculations are performed in the framework of a pseudo-potential technique using the generalized...
MONTE CARLO STUDY OF THE MAGNETOELASTIC PROPERTIES OF FE-NI CLUSTERS (2007)
M. E. Gruner, S. Sil, P. Entel
The search for new properties of materials composed of clusters (clusterassembled materials) or of small nanoparticles has reached a state of technological importance. Moreover the evolution of the...
ATOMISTIC MODELING OF DIFFUSION IN ALUMINUM (2007)
S. Grabowski, K. Kadau, P. Entel
We present molecular-dynamics simulations of self-di#usion in Al. In order to facilitate the description of elastic and vibrational properties as well as vacancy migration, an embedded-atom method...
ELEMENTARY DIFFUSION PROCESSES IN AL-CU-ZN ALLOYS: AN AB INITIO STUDY (2007)
The vacancy formation and migration energy of Al as well as the migration energies of Cu and Zn impurities were calculated at T = 0 K using the Local-Density Approximation based on ultrasoft...
FIRST-PRINCIPLES INVESTIGATIONS OF PRECURSOR MOLECULES FOR MICROCLUSTERS (2007)
G. Rollmann, P. Entel, V. Crisan
Details of the reactive processes by which TiC and TiN microclusters are formed from precursor molecules in the gas phase are not clearly understood. We have performed ab initio calculations based on...
ELECTRONIC STRUCTURE OF SI(111): SN- ( √ 3 × √ 3) R30 ◦: (2007)
An Ab, Initio Study, R. Spettmann, P. Entel
Different coverages of Sn on Si(111) have been investigated by means of ab initio molecular dynamics simulations. The resulting structure, density of states and Schottky barrier have been determined...
P. Entel, Theoretische Tieftemperaturphysik, R. Meyer, R. Meyer
Abstract: We have performed molecular dynamics simulations of Fe 80 Ni 20 alloys using an inter-atomic potential of the EAM-type which allows the simulation of the martensiteaustenite transition. We...
P. Entel, M. Sugihara, V. Buß, M. Elstner, Th. Frauenheim
Recently the structure of rhodopsin was determined from the X-ray di#raction data extending to the resolution of 2.8 A. We have studied the e#ects of amino acids and of water using A density...
A Molecular-Dynamics Study: Nucleation (2007)
Processes And Structural, K. Kadau, R. Meyer, P. Entel
this paper we used the embedded-atom method (EAM) proposed by Daw and Baskes in 1984
The Impact of Magnetoelasticity on Structural Phase Transitions (2007)
In Cubic Ferromagnets, V. D. Buchelnikov, A. T. Zayak, P. Entel
Influence of the magnetoelastic interaction on the structural phase transitions in cubic ferromagnets is investigated on the basis of a Ginzburg-Landau theory.
Molecular-Dynamics Simulations of Martensitic (2007)
Transitions By Entel, P. Entel, R. Meyer, K. Kadau, Theoretische Tieftemperaturphysik
Structural phase transformations in the ferromagnetic FeNi alloys is discussed on the basis of first-principles and molecular-dynamics simulations. In the molecular-dynamics study effective...
Hucht, A., Buschmann, S., Entel, P.
Iron, cobalt and nickel nanoparticles, grown in the gas phase, are known to arrange in chains and bracelet-like rings due to the long-range dipolar interaction between the ferromagnetic (or...
Single-site Anderson Model. I Diagrammatic theory (2007)
Moskalenko, V. A., Entel, P., Digor, D. F., Dohotaru, L. A., Citro, R.
The diagrammatic theory is proposed for the strongly correlated impurity Anderson model. The strongly correlated impurity electrons are hybridized with free conduction electrons. For this system the...
Single-site Anderson model. II Perturbation theory of symmetric model (2007)
Moskalenko, V. A., Entel, P., Digor, D. F., Dohotaru, L. A., Citro, R.
The strong electron correlations caused by Coulomb interaction of impurity electrons are taken into account. The infinite series of diagrams containing irreducible Green's functions are summed. For...
A novel diagrammatic technique for the single-site Anderson model (2007)
Moskalenko, V. A., Entel, P., Digor, D. F., Dohotaru, L. A., Citro, R.
A diagrammatic theory around the atomic limit is proposed for the single-impurity Anderson model in which the strongly correlated impurity electrons hybridize with free (uncorrelated) conduction...
Magnetism of close packed Fe147 clusters (2006)
M. E. Gruner, G. Rollmann, S. Sahoo, P. Entel
We present ab initio density functional theory calculations of the magnetic structure of perfectly cuboctahedral nanoparticles consisting of 147 iron atoms. The results are compared to geometrically...
Anomalous vibrational effects in non-magnetic and magnetic Heusler alloys (2005)
Zayak, A. T., Entel, P., Rabe, K. M., Adeagbo, W. A., Acet, M.
First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$\mathrm{_1}$...
Influence of dipole interaction on lattice dynamics of crystalline ice (2005)
The Born effective charges of component atoms and phonon spectra of a tetrahedrally coordinated crystalline ice are calculated from the first principles method based on density functional theory...
Ab-initio study of structure and dynamics properties of crystalline ice (2005)
Adeagbo, W. A., Zayak, A., Entel, P.
We investigated the structural and dynamical properties of a tetrahedrally coordinated crystalline ice from first principles based on density functional theory within the generalized gradient...
Interaction of strongly correlated electrons and acoustical phonons (2005)
Moskalenko, V. A., Entel, P., Digor, D. F.
We investigate the interaction of correlated electrons with acoustical phonons using the extended Hubbard-Holstein model in which both, the electron-phonon interaction and the on-site Coulomb...
Electron correlation effects in small iron clusters (2005)
Abstract: We present results of first-principles calculations of structural, magnetic, and electronic properties of small Fe clusters. It is shown that, while the lowest-energy isomers of Fe3 and Fe4...
A. Schlachter, M. E. Gruner, M. Spasova, M. Farle, P. Entel
This paper presents the experimental realization of magnetic hollow microspheres. Starting from core-shell microspheres with an organic core and a shell composed of nanoparticles, we could remove the...
A series of first principles calculations have been carried out in order to discuss electronic structure, phonon dynamics, structural instabilities and the nature of martensitic transformations of...
Crystal Structures of Ni$_2$MnGa from Density Functional Calculations (2004)
Zayak, A., Adeagbo, W. A., Entel, P., Buchelnikov, V. D.
The different crystal structures of ferromagnetic Ni$_2$MnGa have been calculated using density functional theory (DFT) with special emphasis on the modulated structures 10M and 14M. These are...
Role of shuffles and atomic disorder in Ni-Mn-Ga (2004)
We report results of \textit{ab-initio} calculations of the ferromagnetic Heusler alloy Ni-Mn-Ga. Particular emphasis is placed on the stability of the low temperature tetragonal structure with $c/a...
AB-INITIO STUDY OF STRUCTURE AND DYNAMICAL PROPERTIES OF CRYSTALLINE (2004)
W. A. Adeagbo, A. Zayak, P. Entel
We investigated the structural and dynamical properties of a tetrahedrally coordinated crystalline ice from first principles based on density functional theory within the generalized gradient...
memory alloys Ni2Mn(Ga, Ge, Al) and Co2Mn(Ga, Ge) (2004)
Fermi surface nesting and phonon softening in magnetic shape
G. Rollmann, P. Entel, S. Sahoo
structural and magnetic effects in small iron clusters
Meyer, R., Lewis, L. J., Prakash, S., Entel, P.
The vibrational density of states (VDOS) of nanoclusters and nanocrystalline materials are derived from molecular-dynamics simulations using empirical tight-binding potentials. The results show that...
Zayak, A. T., Entel, P., Enkovaara, J., Ayuela, A., Nieminen, R. M.
Ferromagnetic \nmg has unique magnetoelastic properties. These are investigated by detailed computational studies of the phonon dispersion curves for the non-modulated cubic \Ltw and tetragonal...
DOI: 10.1140/epjd/e2003-00209-3 Density functional simulation of small Fe nanoparticles (2003)
A. V. Postnikov, P. Entel, J. M. Soler
Abstract. We calculate from first principles the electronic structure, relaxation and magnetic moments of small Fe particles, by applying the numerical local orbitals method in combination with...
Ab Initio Study Of Electric Transport And Interlayer Exchange Coupling In Fe/si/fe Systems (2003)
H. C. Herper, P. Weinberger, L. Szunyogh, C. Sommers, P. Entel
We present a first principles study of the magnetoresistance (MR) perpendicular to the planes of atoms and the interlayer exchange coupling (IEC) in Fe/Si/Fe trilayers. In both cases the dependence...
Moskalenko, V. A., Entel, P., Marinaro, M., Digor, D. F.
We investigate the interaction of strongly correlated electrons with phonons in the frame of the Hubbard-Holstein model. The electron-phonon interaction is considered to be strong and is an important...
Gruner, M. E., Hoffmann, E., Entel, P.
Based on ab initio total energy calculations we show that two magnetic states of rhodium atoms together with competing ferromagnetic and antiferromagnetic exchange interactions are responsible for a...
High-moment – low-moment description of magnetovolume effects (2002)
M. E. Gruner, P. Entel, Theoretische Tieftemperaturphysik
Based on the assumption of a high-moment – low-moment instability of the Mn atom, we construct a simple spin model with coupled magnetic and spatial degrees of freedom to describe the Laves phase...
Density functional simulation of small Fe nanoparticles (2001)
Postnikov, A. V., Entel, P., Soler, Jose M.
We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving...
Perturbation expansion for 2-D Hubbard model (2000)
Zlatic, V., Horvatic, B., Dolicki, B., Grabowski, S., Entel, P.
We develop an efficient method to calculate the third-order corrections to the self-energy of the hole-doped two-dimensional Hubbard model in space-time representation. Using the Dyson equation we...
Ab Initio Molecular-Dynamics Simulations of Adsorption of Dye Molecules at Surfaces (1999)
M. Sugihara, H. Meyer, P. Entel, Y. Sakamoto, J. Hafner, V. Buss
Introduction Dye molecules are of particular interest, since they are a subject of intense inter-disciplinary research involving all branches of chemistry, in particular physical and theoretical...
Ab Initio Molecular-Dynamics Simulations of Dye Molecules on Surfaces (1999)
M. Sugihara, H. Meyer, P. Entel, V. Buss, S. Falzewski, J. Hafner
Introduction The Vienna ab initio simulation package (VASP) is a package for performing ab initio quantum-mechanical molecular-dynamics (MD) using density functional theory with pseudopotentials and...
Atomistic Study of the Structural Transformation in Thin Iron Films on Copper (1998)
K. Kadau, P. Entel, Theoretische Physik
We have performed molecular-dynamics simulations of thin iron films on copper surfaces. Using Embedded-Atom-Method potentials we have simulated systems of up to 40,000 atoms. In agreement with...
P. Entel, R. Meyer, K. Kadau, H. C. Herper, E. Hoffmann
. Results are presented of first-principles total-energy calculations and molecular-dynamics simulations of structural transformations in magnetic transition metal alloys like Fe 1\Gammax Ni x ....
Monte Carlo simulations of high-moment - low-moment transitions in Invar alloys (1998)
Z. Phys, B Manuscript-nr, M. E. Gruner, R. Meyer, P. Entel
. We have reproduced magneto-volume effects typical for Invar alloys by examining a spin-analogous model which describes coupled spatial and magnetic degrees of freedom and, additionally, chemical...
Monte Carlo simulations of magnetovolume instabilities in anti-Invar systems (1998)
M. E. Gruner, P. Entel, Theoretische Tieftemperaturphysik
We perform constant pressure Monte Carlo simulations of a spin-analogous model which describes coupled spatial and magnetic degrees of freedom on an fcc lattice. Our calculations qualitatively...
Monte Carlo simulations of magnetovolume instabilities in anti-Invar systems (1997)
We perform constant pressure Monte Carlo simulations of a spin-analogous model which describes coupled spatial and magnetic degrees of freedom on an fcc lattice. Our calculations qualitatively...
Lattice Dynamics of Martensitic Transformations Examined by Atomistic Simulations (1997)
We have performaed molecular dynamics simulations of Fe(80)Ni(20) alloys using an inter-atomic potential of the EAM-type which allows the simulation of the martensite-austenite transition. We present...
Ab Initio Investigations of Iron-Based Martensitic Systems (1997)
Herper, H., Hoffmann, E., Entel, P.
We apply a full-potential first-principles method to investigate the electronic-structure and elastic features of pure iron and ordered transition metal systems like Fe-Ni and Fe-Mn. The martensitic...
Lattice Dynamics of Martensitic Transformations Examined by Atomistic Simulations (1997)
We have performed molecular dynamics simulations of Fe80Ni20 alloys using an inter-atomic potential of the EAM-type which allows the simulation of the martensite-austenite transition. We present...
Ab Initio Investigations of Iron-Based Martensitic Systems (1997)
Herper, H., Hoffmann, E., Entel, P.
We apply a full-potential first-principles method to investigate the electronic-structure and elastic features of pure iron and ordered transition metal systems like Fe-Ni and Fe-Mn. The martensitic...
Lattice Dynamics of Martensitic Transformations Examined by Atomistic Simulations (1997)
We have performed molecular dynamics simulations of Fe80Ni20 alloys using an inter-atomic potential of the EAM-type which allows the simulation of the martensite-austenite transition. We present...
Ab Initio Investigations of Iron-Based Martensitic Systems (1997)
Herper, H., Hoffmann, E., Entel, P.
We apply a full-potential first-principles method to investigate the electronic-structure and elastic features of pure iron and ordered transition metal systems like Fe-Ni and Fe-Mn. The martensitic...
Lattice Dynamics of Martensitic Transformations Examined by Atomistic Simulations (1997)
We have performed molecular dynamics simulations of Fe80Ni20 alloys using an inter-atomic potential of the EAM-type which allows the simulation of the martensite-austenite transition. We present...
Binding Surfaces and Structural Phase Transformations (1995)
Schröter, M., Hoffmann, E., Yang, M., Entel, P., Akai, H., Altrogge, A.
We have calculated binding surfaces for cla changes (along the Bain path) and changes of the atomic volume of metallic systems undergoing martensitic transformations. We find characteristic...
Electron-Phonon Interaction and Phonon Softening in Systems with Magnetovolume Instabilities (1995)
Herper, H., Entel, P., Weber, W.
The interrelation of Invar and martensitic behaviour in transition metal alloys like Fe65Ni35 is discussed on the basis of ab initio calculations for stoichiometric systems like Fe3Ni. We also...
Hoffmann, E., Entel, P., Wassermann, E., Schwarz, K., Mohn, P.
We investigate the electronic and cohesive properties of the hexagonal and cubic Laves phases of Fe2Ti by ab initio band structure calculations. In particular the stability range of these compounds...
Systematics concerning magnetic and structural phase transitions within Fe-based sytems can be achieved if experimental data are analyzed as a function of composition and the atomic volume. The...
Molecular Dynamics Study of Iron-Nickel Alloys (1995)
We present results of molecular dynamics simulations of disordered iron-nickel alloys. In particular we discuss the α-γ transition and associated anharmonic properties by making use of...
Structural Phase Transformation and Phonon Softening in Iron-Based Alloys (1995)
Herper, H., Hoffmann, E., Entel, P., Weber, W.
The interrelation of Invar and Martensite in iron-based alloys like Fe3Ni is discussed on the basis of ab initio calculations for different crystal structures. Inelastic neutron scattering and...
Binding Surfaces and Structural Phase Transformations (1995)
Schröter, M., Hoffmann, E., Yang, M., Entel, P., Akai, H., Altrogge, A.
We have calculated binding surfaces for cla changes (along the Bain path) and changes of the atomic volume of metallic systems undergoing martensitic transformations. We find characteristic...
Electron-Phonon Interaction and Phonon Softening in Systems with Magnetovolume Instabilities (1995)
Herper, H., Entel, P., Weber, W.
The interrelation of Invar and martensitic behaviour in transition metal alloys like Fe65Ni35 is discussed on the basis of ab initio calculations for stoichiometric systems like Fe3Ni. We also...
Hoffmann, E., Entel, P., Wassermann, E., Schwarz, K., Mohn, P.
We investigate the electronic and cohesive properties of the hexagonal and cubic Laves phases of Fe2Ti by ab initio band structure calculations. In particular the stability range of these compounds...
Systematics concerning magnetic and structural phase transitions within Fe-based sytems can be achieved if experimental data are analyzed as a function of composition and the atomic volume. The...
Molecular Dynamics Study of Iron-Nickel Alloys (1995)
We present results of molecular dynamics simulations of disordered iron-nickel alloys. In particular we discuss the α-γ transition and associated anharmonic properties by making use of...
Structural Phase Transformation and Phonon Softening in Iron-Based Alloys (1995)
Herper, H., Hoffmann, E., Entel, P., Weber, W.
The interrelation of Invar and Martensite in iron-based alloys like Fe3Ni is discussed on the basis of ab initio calculations for different crystal structures. Inelastic neutron scattering and...
Binding Surfaces and Structural Phase Transformations (1995)
Schröter, M., Hoffmann, E., Yang, M., Entel, P., Akai, H., Altrogge, A.
We have calculated binding surfaces for cla changes (along the Bain path) and changes of the atomic volume of metallic systems undergoing martensitic transformations. We find characteristic...
Electron-Phonon Interaction and Phonon Softening in Systems with Magnetovolume Instabilities (1995)
Herper, H., Entel, P., Weber, W.
The interrelation of Invar and martensitic behaviour in transition metal alloys like Fe65Ni35 is discussed on the basis of ab initio calculations for stoichiometric systems like Fe3Ni. We also...
Hoffmann, E., Entel, P., Wassermann, E., Schwarz, K., Mohn, P.
We investigate the electronic and cohesive properties of the hexagonal and cubic Laves phases of Fe2Ti by ab initio band structure calculations. In particular the stability range of these compounds...
Systematics concerning magnetic and structural phase transitions within Fe-based sytems can be achieved if experimental data are analyzed as a function of composition and the atomic volume. The...
Molecular Dynamics Study of Iron-Nickel Alloys (1995)
We present results of molecular dynamics simulations of disordered iron-nickel alloys. In particular we discuss the α-γ transition and associated anharmonic properties by making use of...
Structural Phase Transformation and Phonon Softening in Iron-Based Alloys (1995)
Herper, H., Hoffmann, E., Entel, P., Weber, W.
The interrelation of Invar and Martensite in iron-based alloys like Fe3Ni is discussed on the basis of ab initio calculations for different crystal structures. Inelastic neutron scattering and...
LANDAU DESCRIPTION OF VOLUME INSTABILITIES IN ITINERANT MAGNETIC SYSTEMS (1988)
Long lasting discussions about the INVAR effect involve a two-spin-state model. Recent measurements [1] and band-structure calculations [2] seem to confirm low-spin and high-spin phases in Fe-INVAR...
LANDAU DESCRIPTION OF VOLUME INSTABILITIES IN ITINERANT MAGNETIC SYSTEMS (1988)
Long lasting discussions about the INVAR effect involve a two-spin-state model. Recent measurements [1] and band-structure calculations [2] seem to confirm low-spin and high-spin phases in Fe-INVAR...
LANDAU DESCRIPTION OF VOLUME INSTABILITIES IN ITINERANT MAGNETIC SYSTEMS (1988)
Long lasting discussions about the INVAR effect involve a two-spin-state model. Recent measurements [1] and band-structure calculations [2] seem to confirm low-spin and high-spin phases in Fe-INVAR...
On the role of phonons in intermediate valence compounds (1979)
The influence of phonons on the pressure-temperature (P, T) phase diagram of intermediate valence compounds is investigated. It is shown that due to phonon induced 4f-5d interband transitions, the...
On the role of phonons in intermediate valence compounds (1979)
The influence of phonons on the pressure-temperature (P, T) phase diagram of intermediate valence compounds is investigated. It is shown that due to phonon induced 4f-5d interband transitions, the...
On the role of phonons in intermediate valence compounds (1979)
The influence of phonons on the pressure-temperature (P, T) phase diagram of intermediate valence compounds is investigated. It is shown that due to phonon induced 4f-5d interband transitions, the...
Possible coexistence of superconductivity and magnetism in layered compounds. (1976)
Entel, P., Crisan, M., Bongi, G., Klose, W.
Journal of Low Temperature Physics, 23(1976) S.157-76
On the Coexistence of Superconductivity and Magnetism in Two Band Superconductors. (1975)
Low Temperature Physics. Proc.of the 14.Internat.Conf., Otaniemi, Finland, August 14-20, 1975. Ed.by M. Krusius and M. Vuorio. Vol.3: Low Temperature Properties of Solids. Amsterdam(usw.):...