S. Mirbt

发表

Managing the supercell approximation for charged defects in semiconductors: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric constant

C. Castleton, A. Höglund, S. Mirbt, 2006 .

Ab initio study of neutral vacancies in InP using supercells and finite size scaling

C. Castleton, S. Mirbt, 2003 .

Influence of vanadium spin-polarization on the dissolution of hydrogen in vanadium

P. Zahn, B. Hjörvarsson, S. Shallcross, 2009 .

Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles

B. Sanyal, S. Mirbt, M. Klintenberg, 2015 .

Small hole polaron in CdTe: Cd-vacancy revisited

B. Sanyal, S. Mirbt, M. Klintenberg, 2015, Scientific Reports.

Theoretical calculations of mobility enhancement in strained silicon

P. Zahn, S. Mirbt, V. Meded, 2007 .

Anomalies in transition metal conductivity : Strong evidence for Fermi-velocity dominance

P. Zahn, S. Shallcross, S. Mirbt, 2008 .

(2 × 4) and (4 × 2) reconstructions of Gaas (001): The surface phase diagram re-examined

F. Bechstedt, W. Schmidt, S. Mirbt, 2001 .

H placement in Cr(Mo, Fe)/V supercells: The origin of the dead layers

S. Mirbt, V. Meded, 2005 .

Resistivity of hydrogen-loaded Fe/V and Mo/V (100) superlattices: The role of vanadium expansion

P. Zahn, S. Mirbt, V. Meded, 2004 .

Second harmonic generation on alkali halide surface: evidence for polarized water adsorption

E. Matthias, S. Mirbt, J. Reif, 1990 .

Improved electronic structure and optical properties of sp-hybridized semiconductors using LDA+U SIC

C. Persson, S. Mirbt, 2006 .

Effect of the Mn clustering in (GaMn)N on the magnetic transition temperature

L. Sandratskii, P. Bruno, S. Mirbt, 2005 .

First-principles calculations of Fe on GaAs(100)

B. Johansson, B. Sanyal, S. Mirbt, 2003, cond-mat/0301563.

Magnetic and electronic structure of (Ga1-xMnx)As

O. Eriksson, L. Nordström, P. Svedlindh, 2003 .

Surface energy and magnetism of the 3d metals

B. Johansson, H. Skriver, S. Mirbt, 1994 .

Magnetic interlayer coupling and interaction between interface states in a quantum-well system

B. Johansson, A. Niklasson, H. Skriver, 1999 .

Point defects on the (110) surfaces of InP, InAs, and InSb : A comparison with bulk

B. Johansson, C. Castleton, A. Höglund, 2006 .

Surface phase diagram of (24) and (42) reconstructions of GaAs(001)

Friedhelm Bechstedt, Wolf Gero Schmidt, F. Bechstedt, 2000 .

Cation-rich (100) surface reconstructions of InP and GaP

J. Joannopoulos, Kyeongjae Cho, N. Moll, 1999 .

A systematic study of polarons due to oxygen vacancy formation at the rutile TiO2(110) surface by GGA + U and HSE06 methods

K. Yasuoka, B. Sanyal, S. Mirbt, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Magnetic Properties of Transition Metal Interfaces

S. Mirbt, 1997 .

Calculated oscillation periods of exchange coupling in Fe/Cr/Fe sandwiches

B. Johansson, H. Skriver, S. Mirbt, 1993 .

Effects of Interface Intermixing on the Magnetic Interlayer Coupling

B. Johansson, A. Niklasson, I. Abrikosov, 1997 .

Quantum-well-induced ferromagnetism in thin films

B. Johansson, A. Niklasson, S. Mirbt, 1997 .

Structure of the P vacancy on the InP(110) surface from first principles

B. Johansson, S. Mirbt, M. Göthelid, 2003 .

Atomic and electronic properties of anion vacancies on the (110) surfaces of InP, InAs, and InSb

B. Johansson, S. Mirbt, M. Göthelid, 2002 .

Breakdown of cation vacancies into anion vacancy-antisite complexes on III-V semiconductor surfaces

C. Castleton, A. Höglund, S. Mirbt, 2008 .

Clustered water adsorption on the NaCl(100) surface

E. Matthias, S. Mirbt, J. Reif, 1993 .

Poster: Polar Dielectrics, Optics, and Ionics

C. M. Folkman, Simon M. Goodwin, U. Böttger, 2013 .

Electronic structure and magnetism of Mn-doped GaN

O. Bengone, B. Sanyal, S. Mirbt, 2003, cond-mat/0308527.

Relative concentration and structure of native defects in GaP

C. Castleton, A. Höglund, S. Mirbt, 2005 .

High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies

B. Sanyal, S. Mirbt, M. Klintenberg, 2016 .

Bismuth-stabilized (2x1) and (2x4) reconstructions on GaAs(100) surfaces: Combined first-principles, photoemission, and scanning tunneling microscopy study

J. Kollár, B. Johansson, M. Pessa, 2008 .

Tailoring of defect levels by deformations: Te-antisite in CdTe

B. Sanyal, S. Mirbt, M. Klintenberg, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Manipulation of the interlayer coupling by interface adlayers

B. Johansson, S. Mirbt, 1997 .

Density functional theory calculations of defect energies using supercells

Andreas Höglund, C. Castleton, S. Mirbt, 2009 .

Defect structure of Ga1-xMnxAs: A cross-sectional scanning tunneling microscopy study

E. Lundgren, O. Eriksson, A. Mikkelsen, 2004 .

Structural and magnetic properties of Fe/ZnSe(001) interfaces

B. Sanyal, S. Mirbt, 2002, cond-mat/0203592.

Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces

K. Yasuoka, B. Sanyal, S. Mirbt, 2017 .

Electronic structure and magnetism of diluted magnetic semiconductors—a first principles study

B. Sanyal, S. Mirbt, 2005 .

Origin of the negative GMR effects in Cr_xCo_1-x/cu/Co (111) trilayers

I. Turek, O. Eriksson, O. Bengone, 2004 .

Anomalous bismuth-stabilized (2x1) reconstructions on GaAs(100) and InP(100) surfaces.

J. Kollár, B. Johansson, M. Pessa, 2008, Physical Review Letters.

Convergence of the formation energies of intrinsic point defects in wurtzite ZnO: first- principles study by projector augmented wave method

C. Castleton, A. Höglund, S. Mirbt, 2016 .

Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO2(110) Surfaces

K. Yasuoka, B. Sanyal, S. Mirbt, 2014 .

Magnetic coupling in 3d transition-metal monolayers and bilayers on bcc (100) iron.

Johansson, Eriksson, S. Mirbt, 1995, Physical review. B, Condensed matter.

A general rule for surface reconstructions of III–V semiconductors

J. Joannopoulos, S. Mirbt, A. Kley, 1999 .