Daniel Bilc Home Page


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Daniel Bilc's Home Page

Research
Scientist:
Daniel I. Bilc

Research area:

Physics of functional materials
(ferroelectrics, thermoelectrics and multiferroics)
First-principles modeling

Address:
National Institute for Research & Development of Isotopic & Molecular Technologies

Molecular & Biomolecular Physics Department

Cluj-Napoca 400293, Romania

Office:
Str. Donath 65-103

Phone: +4 0264 584037 Int. 196

Professional infos

We are using first-principles calculations to understand the properties of functional materials at atomic level, and to find ways to improve these materials. Ferroelectricity is related to the lattice instabilities and the interplay of competing structural distortions. This requires the use of accurate computational methods applied to realistic models of the perovskite ferroelectric alloys. We use the linear combination of atomic orbitals (LCAO) and linearized augmented planewave (LAPW) methods within DFT (density functional theory) formalism. In order to predict simultaneously the structural and electronic properties of prototypical ferroelectric oxides we have generated a new B1-WC hybrid exchange-correlation functional.

Also, I am concerned with the theoretical understanding of the electronic structure and transport properties of classical (narrow band-gap semiconductors) and novel (oxides, new bulk semiconductors) thermoelectrics in order to optimize their thermoelectric performance.
We use both usual (LDA, GGA) and hybrid (B1-WC) exchange-correlation functionals in our DFT calculations.

Tools we use ....

Linear Combination of Atomic Orbitals (LCAO) Method (CRYSTAL and SIESTA).

Full Potential Linearized Augmented Plane Wave (FLAPW) Method (WIEN2k).

Tight Binding Linear Muffin-tin Orbital Method (TBLMTO).

Full Potential Linear Muffin-tin Orbital Method (FP-LMTO).

Vienna Ab-initio Simulation Package (VASP-PAW).

XCrySDen tool for visuatization and rendering (XCrySDen).
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Favorite sites

MSU

Physics Dep.

National Institute for Research & Development
of Isotopic & Molecular Technologies Cluj-Napoca

Prof. Ph. Ghosez Home Page

Prof. S. D. Mahanti Home Page

Prof. M. G. Kanatzidis Home Page

Dr. Radu Dobrin Home Page

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How to reach me

Address:

Str. Donath 65-103
Cluj-Napoca 400293, Romania
Phone: (+4)0264-584037 Int. 196
E-mail: Daniel.Bilc@itim-cj.ro

Current projects

Development of a new B1-WC hybrid exchange-correlation functional which can simultaneously predict the structural (lattice constant, tetragonality c/a and atomic distortions) and electronic (band gap, screening length) properties of prototypical ferroelectric oxides since the available usual (LDA, GGA) and hybrid (B1, B3LYP) functionals are not able to predict simultaneously these properties. B1-WC hybrid describes well also the strongly correlated materials and is a good alternative to LDA(GGA)+U.

First-principles modeling of SrTiO3 based oxides for thermoelectric applications (PN-II-RU-TE-2011-3-0085 team project).
Description of Schottky barriers formed at different metal/ferroelectric interfaces.
Study of the metal/ferroelectric symmetric tunneling junctions as their potential for use in FeRAM memories.
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Personal infos

Name:

First: Daniel I.
Last: Bilc

Title and Degrees:

Ph.D. in Physics Michigan State University, June 2005.
Masters in Atomic Physics "Babes-Bolyai" University, June 1997.
Bc.S. Physics "Babes-Bolyai" University, June 1996.

Personal Dates:

Born 1973 (Huedin, Cluj, ROMANIA).
Romanian citizen.

Languages:

English.

General Education:

High School "Mathematics and Physics No. II" Cluj- Napoca 1988 - 1992.

Scientific Education:

Michigan State University, Ph.D. in Physics Jan. 2000 - Jun 2005.
"Babes-Bolyai" University, Masters in Physics Oct. 1996 - June 1997.
"Babes-Bolyai" University, B.S. Physics Oct. 1992 - June 1996.

Teaching Experience:

Teaching Assistant Jan. 2000 - Dec. 2000 at Michigan State University.
Teaching Assistant Aug. 1998 - Dec 1999 at Western Michigan University.

Research Positions:

Research Scientist I at National Institute for Research & Development of Isotopic & Molecular Technologies, October 2011 - Present.
Research Associate at University of Liege, Aug. 2006 - October 2011.
Research Associate at Oak Ridge National Laboratory, Jul. 2005 - Jul. 2006.
Research Assistantship at Michigan State University, Jan. 2001 - Jul. 2005.
Teaching Assistantship at Michigan State University, Jan. 2000 - Dec. 2000.
Teaching Assistantship at Western Michigan University, Sept. 1998 - Dec. 1999

Personal activities

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